Geometry & MOs

Info

ID:	425742
PubChem CID:	135127707
Reduced:	FN4H19C20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	390.165603
ΔH_f, kcal/mol:	58.11
Dipole, Da:	3.62
IP(EA), eV:	-8.79(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2,2-difluoroethyl)phenyl]-7-ethyl-2-pyridin-3-ylquinazolin-4-amine

Drug info:

PubChemData

Smile

C/C=C(\C=NC)/C1=NC2=C(C=CC(=C2)C3=CC(=CC=C3)F)C(=N1)NC

DOS

IR

Vibrations