Geometry & MOs

Info

ID:	420261
PubChem CID:	135112118
Reduced:	OSN3C21H23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	398.27941
ΔH_f, kcal/mol:	63.13
Dipole, Da:	5.94
IP(EA), eV:	-8.54(-0.7)
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-(3-methylphenyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)SC2CCN(CC2)CC3=CC(=NO3)C4=CC=NC=C4

DOS

IR

Vibrations