Geometry & MOs

Info

ID:	334162
PubChem CID:	127252714
Reduced:	O5N6H28C30 (1)
Stoich.:	A5B6C28D30 (1)
Weight, g/mol:	449.144767
ΔH_f, kcal/mol:	9.38
Dipole, Da:	6.61
IP(EA), eV:	-9.3(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(2H-tetrazol-5-yl)propanamide

Drug info:

PubChemData

Smile

C1[C@H]([C@@H]2C3CC(CN2C4=C1C=C(C=C4)[N+](=O)[O-])C5=CC=CC(=O)N5C3)C(=O)NCCN6C=NC7=CC=CC=C7C6=O

DOS

IR

Vibrations