Geometry & MOs

Info

ID:	178257
PubChem CID:	76305620
Reduced:	BrNOSC16H18 (1)
Stoich.:	ABCDE16F18 (1)
Weight, g/mol:	387.155847
ΔH_f, kcal/mol:	34.07
Dipole, Da:	3.87
IP(EA), eV:	-9.39(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C#CCN(C1CCCCC1)C(=O)C=CC2=CC=C(S2)Br

DOS

IR

Vibrations