Geometry & MOs

Info

ID:	276196
PubChem CID:	103821183
Reduced:	O2N3C11H17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	278.145285
ΔH_f, kcal/mol:	-46.6
Dipole, Da:	4.24
IP(EA), eV:	-9.55(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methyl-N-(3-methylsulfanylcyclohexyl)benzamide

Drug info:

PubChemData

Smile

CC1=CN=C(O1)CNC(=O)C(C)(C2CC2)N

DOS

IR

Vibrations