Geometry & MOs

Info

ID:	290199
PubChem CID:	104418357
Reduced:	ON4C13H24 (1)
Stoich.:	AB4C13D24 (1)
Weight, g/mol:	268.251464
ΔH_f, kcal/mol:	-42.83
Dipole, Da:	5.2
IP(EA), eV:	-9.06(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-ethylcycloheptyl)amino]-N-(2-methylpropyl)propanamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)CCNC(C)C1=NC=CN1C

DOS

IR

Vibrations