Geometry & MOs

Info

ID:	414814
PubChem CID:	135087777
Reduced:	FON3C21H26 (1)
Stoich.:	ABC3D21E26 (1)
Weight, g/mol:	395.106846
ΔH_f, kcal/mol:	-52.02
Dipole, Da:	5.17
IP(EA), eV:	-9.44(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CN(CC1=CN=CC=C1)CC(=O)N[C@H]2CCC[C@H]2CC3=CC=C(C=C3)F

DOS

IR

Vibrations