Geometry & MOs

Info

ID:	299170
PubChem CID:	117673791
Reduced:	INO3C20H20 (1)
Stoich.:	ABC3D20E20 (1)
Weight, g/mol:	453.150012
ΔH_f, kcal/mol:	-72.99
Dipole, Da:	4.02
IP(EA), eV:	-8.98(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2,6-difluoro-N-(2-hydroxyethyl)-3,5-dimethoxyanilino]-3-phenylquinazolin-4-one

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)I)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

DOS

IR

Vibrations