Geometry & MOs

Info

ID:	425765
PubChem CID:	135127893
Reduced:	ClNOC13H16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	461.146345
ΔH_f, kcal/mol:	-2.35
Dipole, Da:	2.9
IP(EA), eV:	-8.94(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-difluorophenyl)-8-fluoro-6-(2-methoxypyridin-4-yl)-2-pyridin-3-yl-6,7-dihydroquinazolin-4-amine

Drug info:

PubChemData

Smile

CC1CC1C2=C(C=C(C=C2)OC)C(=NC)Cl

DOS

IR

Vibrations