Geometry & MOs

Info

ID:	37045
PubChem CID:	8016394
Reduced:	N2O4H16C21 (1)
Stoich.:	A2B4C16D21 (1)
Weight, g/mol:	346.095357
ΔH_f, kcal/mol:	-59.4
Dipole, Da:	3.66
IP(EA), eV:	-8.4(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-16,17-dimethoxy-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13(18),14,16-nonaen-19-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3=C4N2C(=O)C5=C(C4=NC=C3)C=CC(=C5OC)OC

DOS

IR

Vibrations