Geometry & MOs

Info

ID:	79293
PubChem CID:	49747892
Reduced:	N3O4C17H19 (1)
Stoich.:	A3B4C17D19 (1)
Weight, g/mol:	346.171499
ΔH_f, kcal/mol:	-18.78
Dipole, Da:	6.16
IP(EA), eV:	-9.16(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(CNC(=O)/C=C/C1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CO2

DOS

IR

Vibrations