Geometry & MOs

Info

ID:	420588
PubChem CID:	135114127
Reduced:	NO2C23H25 (1)
Stoich.:	AB2C23D25 (1)
Weight, g/mol:	398.27941
ΔH_f, kcal/mol:	-25.95
Dipole, Da:	2.24
IP(EA), eV:	-8.58(-0.42)
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-[4-(3-methylphenyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)CC3=C4C(=CC=C3)C5=CC=CC=C5O4)OCC1

DOS

IR

Vibrations