Geometry & MOs

Info

ID:	31174
PubChem CID:	854984
Reduced:	ClOSN4H11C15 (1)
Stoich.:	ABCD4E11F15 (1)
Weight, g/mol:	231.162314
ΔH_f, kcal/mol:	93.99
Dipole, Da:	4.34
IP(EA), eV:	-9.56(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)cyclohexanecarboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations