Geometry & MOs

Info

ID:	360429
PubChem CID:	127301074
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-52.05
Dipole, Da:	6.25
IP(EA), eV:	-8.98(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)N3CCCC(C3)N4C=C(C=N4)C

DOS

IR

Vibrations