Geometry & MOs

Info

ID:	190001
PubChem CID:	77939417
Reduced:	IO3N7C25H30 (1)
Stoich.:	AB3C7D25E30 (1)
Weight, g/mol:	501.149668
ΔH_f, kcal/mol:	-16.83
Dipole, Da:	6.14
IP(EA), eV:	-8.48(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-chloro-4-fluoroanilino)-7-(oxolan-3-ylphosphanyl)quinazolin-6-yl]-4-(dimethylamino)but-2-enamide

Drug info:

PubChemData

Smile

CC1CC(NN1)NC2=NC(=NC=C2I)NC3=C(C=C(C(=C3)C)C4=CC=C(C=C4)C(=O)NC)OCCO

DOS

IR

Vibrations