Geometry & MOs

Info

ID:	430900
PubChem CID:	135170968
Reduced:	O2N5C27H29 (1)
Stoich.:	A2B5C27D29 (1)
Weight, g/mol:	336.220164
ΔH_f, kcal/mol:	22.72
Dipole, Da:	5.13
IP(EA), eV:	-8.75(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-(benzylamino)cyclohexyl]-N-ethylbenzamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=C(C3=CC=CC=C3O2)C)C(=O)C4=NC5=C(N4)C=C(C=C5)C#N

DOS

IR

Vibrations