Geometry & MOs

Info

ID:	152140
PubChem CID:	56311006
Reduced:	O4N5C27H31 (1)
Stoich.:	A4B5C27D31 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-122.05
Dipole, Da:	6.27
IP(EA), eV:	-8.58(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)C3=C(N(C(=O)N(C3=O)C)CC4=CC=CC=C4)N

DOS

IR

Vibrations