Geometry & MOs

Info

ID:	235324
PubChem CID:	92309411
Reduced:	ClO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	341.210327
ΔH_f, kcal/mol:	-60.14
Dipole, Da:	1.92
IP(EA), eV:	-9.49(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-4-(5-methylindazol-1-yl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)CCC(=O)N1C2=C(C=CC(=C2)Cl)C=N1

DOS

IR

Vibrations