Geometry & MOs

Info

ID:	209135
PubChem CID:	80628575
Reduced:	ClN2O3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	248.200097
ΔH_f, kcal/mol:	-14.05
Dipole, Da:	7.25
IP(EA), eV:	-9.62(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-methyl-6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1OC2=CC(=C(C=C2)[N+](=O)[O-])C)CCl

DOS

IR

Vibrations