Geometry & MOs

Info

ID:	282979
PubChem CID:	103950222
Reduced:	N3O3C12H13 (1)
Stoich.:	A3B3C12D13 (1)
Weight, g/mol:	256.160935
ΔH_f, kcal/mol:	-75.07
Dipole, Da:	1.53
IP(EA), eV:	-9.5(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(2-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(O1)C(C)NC(=O)C2=C(C=CC=N2)O

DOS

IR

Vibrations