Geometry & MOs

Info

ID:	124381
PubChem CID:	50881110
Reduced:	OCl2N2H14C15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	295.14514
ΔH_f, kcal/mol:	-24.88
Dipole, Da:	4.02
IP(EA), eV:	-8.37(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-amino-2-chloro-5-(4-methylpiperidin-1-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)NC2=C(C=C(C(=C2)Cl)N)Cl

DOS

IR

Vibrations