Geometry & MOs

Info

ID:	36555
PubChem CID:	8008637
Reduced:	SN2O2H22C23 (1)
Stoich.:	AB2C2D22E23 (1)
Weight, g/mol:	319.16444
ΔH_f, kcal/mol:	-14.83
Dipole, Da:	2.32
IP(EA), eV:	-9.23(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(1-cyanocyclohexyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)C(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CS4

DOS

IR

Vibrations