Geometry & MOs

Info

ID:	149825
PubChem CID:	53789502
Reduced:	N2C39H48 (1)
Stoich.:	A2B39C48 (1)
Weight, g/mol:	358.164105
ΔH_f, kcal/mol:	21.05
Dipole, Da:	1.89
IP(EA), eV:	-8.2(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-morpholin-4-yl-4-oxobutoxy)-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),5,7,11-tetraen-10-one

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)C2(CCC(CC2)C)C3=CC=C(C=C3)C(CC)C4=C(C=C(C=C4)N)C)C5=C(C=C(C=C5)N)C

DOS

IR

Vibrations