Geometry & MOs

Info

ID:	418305
PubChem CID:	135104161
Reduced:	FN2O4C20H23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	340.151096
ΔH_f, kcal/mol:	-147.16
Dipole, Da:	5.29
IP(EA), eV:	-9.29(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=C(C(=NO2)N3CC[C@@H]4CCCC[C@H]4C3)C(=O)O)F

DOS

IR

Vibrations