Geometry & MOs

Info

ID:	51259
PubChem CID:	12013902
Reduced:	NO5C14H17 (2)
Stoich.:	AB5C14D17 (2)
Weight, g/mol:	454.096331
ΔH_f, kcal/mol:	-400.88
Dipole, Da:	3.2
IP(EA), eV:	-8.65(-0.79)
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)-2,2-dimethylcyclobutyl]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1(C(CC1CC(=O)NC2=CC(=C(C=C2C(=O)O)OC)OC)CC(=O)NC3=CC(=C(C=C3C(=O)O)OC)OC)C

DOS

IR

Vibrations