Geometry & MOs

Info

ID:	62948
PubChem CID:	26737754
Reduced:	SN4O4H16C18 (1)
Stoich.:	AB4C4D16E18 (1)
Weight, g/mol:	260.116092
ΔH_f, kcal/mol:	-43.59
Dipole, Da:	10.28
IP(EA), eV:	-9.18(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-N-(2-methyl-3-nitrophenyl)cyclohex-3-ene-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=C(C3=C(S2)N=C4CCCN4C3=O)C

DOS

IR

Vibrations