Geometry & MOs

Info

ID:	41920
PubChem CID:	8147837
Reduced:	NO3H15C21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	385.18017
ΔH_f, kcal/mol:	-22.43
Dipole, Da:	5.18
IP(EA), eV:	-9.05(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)/C=C(\CC(=O)O)/C3=NC4=CC=CC=C4O3

DOS

IR

Vibrations