Geometry & MOs

Info

ID:	134619
PubChem CID:	51727938
Reduced:	BrN2O6C18H21 (1)
Stoich.:	AB2C6D18E21 (1)
Weight, g/mol:	235.168462
ΔH_f, kcal/mol:	-241.4
Dipole, Da:	7.15
IP(EA), eV:	-9.03(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-pyrazol-1-ylpropan-2-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C(C(=O)OCC)NC(=O)[C@H]1CC(=O)N(C1)C2=CC(=CC=C2)Br

DOS

IR

Vibrations