Geometry & MOs

Info

ID:	344513
PubChem CID:	127268097
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-62.79
Dipole, Da:	4.33
IP(EA), eV:	-8.87(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CN2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations