Geometry & MOs

Info

ID:	157561
PubChem CID:	56435700
Reduced:	O2N3C22H33 (1)
Stoich.:	A2B3C22D33 (1)
Weight, g/mol:	409.272927
ΔH_f, kcal/mol:	-95.65
Dipole, Da:	2.2
IP(EA), eV:	-8.59(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl)-(4-cyclopentylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3CCCC3

DOS

IR

Vibrations