Geometry & MOs

Info

ID:	141189
PubChem CID:	52834496
Reduced:	O3N4C24H26 (1)
Stoich.:	A3B4C24D26 (1)
Weight, g/mol:	291.231063
ΔH_f, kcal/mol:	-16.58
Dipole, Da:	3.62
IP(EA), eV:	-8.68(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(1,4-dimethylcyclohexyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CCC[C@@H](C1=NN=C2N1C=CC=C2)NC(=O)C3=CC=C(O3)COC4=C(C=C(C=C4)C)C

DOS

IR

Vibrations