Geometry & MOs

Info

ID:	418568
PubChem CID:	135105818
Reduced:	NOC7H7 (3)
Stoich.:	ABC7D7 (3)
Weight, g/mol:	401.169919
ΔH_f, kcal/mol:	-63.62
Dipole, Da:	7.81
IP(EA), eV:	-9.7(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(14R,15R)-14-hydroxy-21-methoxy-2-oxa-5,6,7,12,16-pentazatetracyclo[16.3.1.14,7.112,15]tetracosa-1(21),4(24),5,18(22),19-pentaene-11,17-dione

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CC=CC3=C2CCC3=O)C(=O)C4=CN=CC=C4

DOS

IR

Vibrations