Geometry & MOs

Info

ID:	422855
PubChem CID:	135118519
Reduced:	ClN2O2H21C22 (1)
Stoich.:	AB2C2D21E22 (1)
Weight, g/mol:	340.151096
ΔH_f, kcal/mol:	-34.53
Dipole, Da:	4.93
IP(EA), eV:	-9.12(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Cl)C(=O)N[C@@H]2COC[C@H]2CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations