Geometry & MOs

Info

ID:	123131
PubChem CID:	50834735
Reduced:	FO3N4H19C22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	398.174276
ΔH_f, kcal/mol:	-64.0
Dipole, Da:	6.47
IP(EA), eV:	-8.47(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CNN3C2=NC(=CC3C4=CC=CC=C4F)C(=O)O)C

DOS

IR

Vibrations