Geometry & MOs

Info

ID:	299955
PubChem CID:	118043409
Reduced:	Cl2O2N3H13C16 (1)
Stoich.:	A2B2C3D13E16 (1)
Weight, g/mol:	487.117795
ΔH_f, kcal/mol:	-14.01
Dipole, Da:	3.59
IP(EA), eV:	-8.72(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]pyrrolidin-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1Cl)C2=CC3=CN=C(N=C3C=C2)N)Cl)OC

DOS

IR

Vibrations