Geometry & MOs

Info

ID:	344498
PubChem CID:	127268082
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	-32.66
Dipole, Da:	4.91
IP(EA), eV:	-8.85(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)N(C2CC2)C(=O)CN3CCN(CC3)C(=O)C4=CC5=CC=CC=C5N4

DOS

IR

Vibrations