Geometry & MOs

Info

ID:	235325
PubChem CID:	92309413
Reduced:	O2N3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	355.225977
ΔH_f, kcal/mol:	-72.88
Dipole, Da:	2.33
IP(EA), eV:	-9.0(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@@H]([C@H]1C)NC(=O)CCC(=O)N2C3=C(C=C(C=C3)C)C=N2

DOS

IR

Vibrations