Geometry & MOs

Info

ID:	25504
PubChem CID:	625961
Reduced:	N4F6H10C15 (1)
Stoich.:	A4B6C10D15 (1)
Weight, g/mol:	292.121178
ΔH_f, kcal/mol:	-215.7
Dipole, Da:	7.09
IP(EA), eV:	-9.35(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-methoxyphenyl)ethenyl]-3-methylquinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(N=C2C3=CN=CC=C3)(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations