Geometry & MOs

Info

ID:	51261
PubChem CID:	12013904
Reduced:	N4O6C27H30 (1)
Stoich.:	A4B6C27D30 (1)
Weight, g/mol:	468.111981
ΔH_f, kcal/mol:	-159.17
Dipole, Da:	8.77
IP(EA), eV:	-8.62(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-[[3-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-2,2-dimethylcyclobutyl]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1(C(CC1C2=NC(=O)C3=CC(=C(C=C3N2)OC)OC)CC4=NC(=O)C5=CC(=C(C=C5N4)OC)OC)C

DOS

IR

Vibrations