Geometry & MOs

Info

ID:	49891
PubChem CID:	11534159
Reduced:	N3O3H35C36 (1)
Stoich.:	A3B3C35D36 (1)
Weight, g/mol:	558.178231
ΔH_f, kcal/mol:	-37.05
Dipole, Da:	7.72
IP(EA), eV:	-8.84(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[4-[3-chloro-4-(pyridin-3-ylmethoxy)anilino]-7-methoxyquinazolin-6-yl]-1-prop-2-enoylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)CC2=C(N=C(N2)C3=CC4=CC=CC=C4C=C3)C(=O)NC5=CC=CC(=C5)C(=O)OCC6=CC=CC=C6

DOS

IR

Vibrations