Geometry & MOs

Info

ID:	250122
PubChem CID:	103094312
Reduced:	ClON3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	255.11384
ΔH_f, kcal/mol:	58.63
Dipole, Da:	2.47
IP(EA), eV:	-9.15(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-N-(3-chloropyridin-2-yl)-4-methylpentanamide

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2)CC(=O)NC3=C(C=CC=N3)Cl

DOS

IR

Vibrations