Geometry & MOs

Info

ID:	152935
PubChem CID:	56312030
Reduced:	O3N4C22H32 (1)
Stoich.:	A3B4C22D32 (1)
Weight, g/mol:	393.241627
ΔH_f, kcal/mol:	-137.86
Dipole, Da:	6.5
IP(EA), eV:	-8.75(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)NC(=O)NC3CCCC3

DOS

IR

Vibrations