Geometry & MOs

Info

ID:

127109

PubChem CID:

50991000

Reduced:

O4N5C34H35 (1)

Stoich.:

A4B5C34D35 (1)

Weight, g/mol:

468.227374

ΔHf, kcal/mol:

-44.82

Dipole, Da:

2.48

IP(EA), eV:

 -8.51(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-cyclopropyl-N-[[4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl]methyl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)C2=CN(C3=C2C=CC(=C3)C4=CC=C(C=C4)OC)C5=NC=NC(=C5)NCCN6CCOCC6

DOS

IR

Vibrations