Geometry & MOs

Info

ID:	226046
PubChem CID:	87266015
Reduced:	O2N6C23H28 (1)
Stoich.:	A2B6C23D28 (1)
Weight, g/mol:	510.167889
ΔH_f, kcal/mol:	36.47
Dipole, Da:	4.35
IP(EA), eV:	-7.8(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[(3R)-1-[(2E)-7-methyl-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-quinazolin-4-yl]pyrrolidin-3-yl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)N2C(=NC(=N2)NC3C=CC(=CC3=C=O)N4CCCCC4)N

DOS

IR

Vibrations