Geometry & MOs

Info

ID:	347547
PubChem CID:	127272402
Reduced:	N3O3C16H21 (1)
Stoich.:	A3B3C16D21 (1)
Weight, g/mol:	380.221226
ΔH_f, kcal/mol:	-79.06
Dipole, Da:	4.2
IP(EA), eV:	-9.56(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-pyrazol-1-ylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC1C(=O)NC2CCN(CC2)C(=O)COC3=CN=CC=C3

DOS

IR

Vibrations