Geometry & MOs

Info

ID:	321887
PubChem CID:	126667216
Reduced:	ON7C25H35 (1)
Stoich.:	AB7C25D35 (1)
Weight, g/mol:	501.285223
ΔH_f, kcal/mol:	51.97
Dipole, Da:	4.8
IP(EA), eV:	-7.81(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(2-ethanimidoylanilino)pyridin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(=N)C1=CC=CC=C1NC2=CC(NC=C2)NC3=C(C=C(C(=C3)N)N(C)CCN(C)C)OC

DOS

IR

Vibrations