Geometry & MOs

Info

ID:	152150
PubChem CID:	56311017
Reduced:	N3O5C24H27 (1)
Stoich.:	A3B5C24D27 (1)
Weight, g/mol:	423.215806
ΔH_f, kcal/mol:	-157.48
Dipole, Da:	3.38
IP(EA), eV:	-8.8(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC4=C(C=C3C(=O)C)OCO4

DOS

IR

Vibrations