Geometry & MOs

Info

ID:	367961
PubChem CID:	127326144
Reduced:	ON5C21H37 (1)
Stoich.:	AB5C21D37 (1)
Weight, g/mol:	396.288912
ΔH_f, kcal/mol:	-48.29
Dipole, Da:	6.16
IP(EA), eV:	-8.57(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1H-indol-3-yl)ethyl]-2-[4-(4-methylcyclohexyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)CC(=O)NC3=CC(=NN3C(C)(C)C)C

DOS

IR

Vibrations