Geometry & MOs

Info

ID:	418900
PubChem CID:	135107093
Reduced:	N2O5C16H24 (1)
Stoich.:	A2B5C16D24 (1)
Weight, g/mol:	422.15413
ΔH_f, kcal/mol:	-196.24
Dipole, Da:	3.27
IP(EA), eV:	-9.85(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)C(=O)C2=C(ON=C2CC)C)C(=O)O

DOS

IR

Vibrations