Geometry & MOs

Info

ID:	344510
PubChem CID:	127268094
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	-68.11
Dipole, Da:	4.1
IP(EA), eV:	-8.85(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylmethyl)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)CN2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations