Geometry & MOs

Info

ID:	152251
PubChem CID:	56311144
Reduced:	BrO2N3C23H28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	450.263091
ΔH_f, kcal/mol:	-52.76
Dipole, Da:	3.23
IP(EA), eV:	-9.01(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC(C)C3=CC=C(C=C3)Br

DOS

IR

Vibrations