Geometry & MOs

Info

ID:	84232
PubChem CID:	49865082
Reduced:	N3O4H23C24 (1)
Stoich.:	A3B4C23D24 (1)
Weight, g/mol:	437.155098
ΔH_f, kcal/mol:	-40.62
Dipole, Da:	3.44
IP(EA), eV:	-8.47(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-difluorophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC(=C(C(=C4)OC)OC)OC

DOS

IR

Vibrations