Geometry & MOs

Info

ID:	425761
PubChem CID:	135127884
Reduced:	O3N5C28H31 (1)
Stoich.:	A3B5C28D31 (1)
Weight, g/mol:	448.131109
ΔH_f, kcal/mol:	4.92
Dipole, Da:	4.5
IP(EA), eV:	-8.55(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,3-difluorophenyl)-N-(3,4-difluorophenyl)-2-(1,2-dihydropyridin-3-yl)quinazolin-4-amine

Drug info:

PubChemData

Smile

CN(C)C1=C(CC(=CC(=C1)NC2=NC(=NC3=C2C=C(C=C3)OC)C4=CN=CC=C4)OC)CCCC=O

DOS

IR

Vibrations