Geometry & MOs

Info

ID:	41924
PubChem CID:	8147842
Reduced:	FN3O3C21H25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	385.18017
ΔH_f, kcal/mol:	-94.84
Dipole, Da:	4.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.766003
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[C@H](C1=CC=C(C=C1)F)[NH2+]CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

DOS

IR

Vibrations