Geometry & MOs

Info

ID:	414497
PubChem CID:	135087456
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	395.106846
ΔH_f, kcal/mol:	-102.51
Dipole, Da:	9.74
IP(EA), eV:	-9.4(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1C)C(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3)C

DOS

IR

Vibrations