Geometry & MOs

Info

ID:	363792
PubChem CID:	127313439
Reduced:	O2N3C22H31 (1)
Stoich.:	A2B3C22D31 (1)
Weight, g/mol:	397.272927
ΔH_f, kcal/mol:	-55.95
Dipole, Da:	3.43
IP(EA), eV:	-8.72(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2(CC2)C(=O)NCCN3CCN(CC3)C(=O)C4CCC4

DOS

IR

Vibrations