Geometry & MOs

Info

ID:	425775
PubChem CID:	135127917
Reduced:	ClFN3C24H25 (1)
Stoich.:	ABC3D24E25 (1)
Weight, g/mol:	348.175025
ΔH_f, kcal/mol:	49.47
Dipole, Da:	6.41
IP(EA), eV:	-8.62(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydropyridin-3-yl)-6-(3-fluorophenyl)-N,N-dimethyl-6,7-dihydroquinazolin-4-amine

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)C(=NC(=C)/C(=C/C)/N=CC=C)NC2=CC(=C(C=C2)F)Cl)C

DOS

IR

Vibrations