Geometry & MOs

Info

ID:	152631
PubChem CID:	56311629
Reduced:	FON2C21H25 (1)
Stoich.:	ABC2D21E25 (1)
Weight, g/mol:	422.231791
ΔH_f, kcal/mol:	-56.93
Dipole, Da:	1.61
IP(EA), eV:	-8.88(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-[[2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C3=CC(=CC=C3)F

DOS

IR

Vibrations