Geometry & MOs

Info

ID:	344506
PubChem CID:	127268090
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	-63.45
Dipole, Da:	4.4
IP(EA), eV:	-8.74(-0.33)
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-(4-methylcyclohexyl)acetamide

Drug info:

PubChemData

Smile

CCN(C1CCCCC1)C(=O)CN2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations