Geometry & MOs

Info

ID:	430872
PubChem CID:	135170939
Reduced:	N2O2C23H36 (1)
Stoich.:	A2B2C23D36 (1)
Weight, g/mol:	375.231063
ΔH_f, kcal/mol:	-64.68
Dipole, Da:	3.69
IP(EA), eV:	-8.13(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,3S)-3-(benzylamino)cyclohexyl]-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCN/C=C\C(=C/C)\C=C\C1=CC=C(C=C1)N(CCO)CCO

DOS

IR

Vibrations