Geometry & MOs

Info

ID:	39751
PubChem CID:	8142146
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-103.01
Dipole, Da:	3.64
IP(EA), eV:	-8.64(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2,5-dimethylphenoxy)acetyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)COC3=CC(=C(C=C3)C)C)C

DOS

IR

Vibrations