Geometry & MOs

Info

ID:	416647
PubChem CID:	135089954
Reduced:	SO5N7C30H43 (1)
Stoich.:	AB5C7D30E43 (1)
Weight, g/mol:	354.166746
ΔH_f, kcal/mol:	-166.91
Dipole, Da:	7.97
IP(EA), eV:	-9.29(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)N[C@H](C(=O)NCCCN1C(=O)C2=CSC(=N2)CN(C)C)CC3=CC=CC=C3)C)C(C)C

DOS

IR

Vibrations