Geometry & MOs

Info

ID:	185202
PubChem CID:	77269139
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	528.167666
ΔH_f, kcal/mol:	-136.21
Dipole, Da:	8.52
IP(EA), eV:	-9.31(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CNC(CCC(=O)O)C(=O)N)C

DOS

IR

Vibrations