Geometry & MOs

Info

ID:	151815
PubChem CID:	56310626
Reduced:	ClN3O3C23H28 (1)
Stoich.:	AB3C3D23E28 (1)
Weight, g/mol:	430.294391
ΔH_f, kcal/mol:	-101.08
Dipole, Da:	3.01
IP(EA), eV:	-8.43(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)OC)Cl

DOS

IR

Vibrations