Geometry & MOs

Info

ID:	329421
PubChem CID:	126736537
Reduced:	ON2H8C9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	586.363139
ΔH_f, kcal/mol:	2.04
Dipole, Da:	3.83
IP(EA), eV:	-9.55(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(2-ethyloxan-4-yl)amino]-2-methyl-5-[6-[(4-methylpiperazin-1-yl)methyl]pyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)C2=CC3=C(C=C2)N4C(=NN=C4CC3)C)C(=O)O

DOS

IR

Vibrations