Geometry & MOs

Info

ID:	41923
PubChem CID:	8147841
Reduced:	NO4H17C19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	386.187995
ΔH_f, kcal/mol:	-87.0
Dipole, Da:	5.64
IP(EA), eV:	-8.7(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C2NC3=CC=CC=C3O2)CC(=O)O)C=C(C1=O)C

DOS

IR

Vibrations