Geometry & MOs

Info

ID:	192129
PubChem CID:	78232761
Reduced:	FO2N3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	413.191483
ΔH_f, kcal/mol:	-37.55
Dipole, Da:	7.41
IP(EA), eV:	-9.6(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N-[(4-fluorophenyl)methyl]-N-[(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C1CCC(C1)N(CC2=NC(=O)C3C=CC=CC3=N2)C(=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations