Geometry & MOs

Info

ID:	422552
PubChem CID:	135118025
Reduced:	SN2O2C17H24 (1)
Stoich.:	AB2C2D17E24 (1)
Weight, g/mol:	320.140389
ΔH_f, kcal/mol:	-65.25
Dipole, Da:	4.24
IP(EA), eV:	-8.56(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CSCCC1N2CCN(CC2)CC3=CC(=CC=C3)C(=O)O

DOS

IR

Vibrations