Geometry & MOs

Info

ID:	415731
PubChem CID:	135088731
Reduced:	SN2O3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	340.151096
ΔH_f, kcal/mol:	-89.13
Dipole, Da:	3.63
IP(EA), eV:	-8.22(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-2-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)N2CCC3(CC2)C4=C(CCO3)C=CS4

DOS

IR

Vibrations