Geometry & MOs

Info

ID:	197833
PubChem CID:	79005458
Reduced:	FN3O3C14H18 (1)
Stoich.:	AB3C3D14E18 (1)
Weight, g/mol:	315.02925
ΔH_f, kcal/mol:	-82.54
Dipole, Da:	5.87
IP(EA), eV:	-9.02(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromothiophen-2-yl)methyl]-4-methylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CC(CCN1C)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])F

DOS

IR

Vibrations