Geometry & MOs

Info

ID:	41917
PubChem CID:	8147829
Reduced:	NSO3H13C16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	359.120068
ΔH_f, kcal/mol:	-45.28
Dipole, Da:	4.99
IP(EA), eV:	-9.33(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-[[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(S1)/C=C(\CC(=O)O)/C2=NC3=CC=CC=C3O2

DOS

IR

Vibrations