Geometry & MOs

Info

ID:	370469
PubChem CID:	127338989
Reduced:	NO2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	354.169191
ΔH_f, kcal/mol:	-131.38
Dipole, Da:	3.13
IP(EA), eV:	-8.76(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methyl-2-oxopyrrolidin-3-yl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCC(C1=O)NC(=O)CC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations