Geometry & MOs

Info

ID:	76938
PubChem CID:	48425598
Reduced:	BrO3N4C16H23 (1)
Stoich.:	AB3C4D16E23 (1)
Weight, g/mol:	308.171162
ΔH_f, kcal/mol:	-125.35
Dipole, Da:	4.84
IP(EA), eV:	-8.96(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)CCNC(=O)NC1=CC=C(C=C1)Br

DOS

IR

Vibrations