Geometry & MOs

Info

ID:	75880
PubChem CID:	48424107
Reduced:	ClNO2C17H22 (1)
Stoich.:	ABC2D17E22 (1)
Weight, g/mol:	318.205576
ΔH_f, kcal/mol:	-66.15
Dipole, Da:	5.83
IP(EA), eV:	-9.31(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1C2=CC(=CC=C2)Cl)OCC3CC3

DOS

IR

Vibrations