Geometry & MOs

Info

ID:	153038
PubChem CID:	56312154
Reduced:	N3O4C28H35 (1)
Stoich.:	A3B4C28D35 (1)
Weight, g/mol:	438.19032
ΔH_f, kcal/mol:	-135.25
Dipole, Da:	2.46
IP(EA), eV:	-8.71(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3(CCCC3)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations