Geometry & MOs

Info

ID:	360432
PubChem CID:	127301077
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-78.55
Dipole, Da:	2.75
IP(EA), eV:	-8.4(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]phenyl]methyl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)C3=CC(=C(C=C3)OC4CCCC4)OC

DOS

IR

Vibrations