Geometry & MOs

Info

ID:	152338
PubChem CID:	56311253
Reduced:	FO2N4C25H29 (1)
Stoich.:	AB2C4D25E29 (1)
Weight, g/mol:	405.241627
ΔH_f, kcal/mol:	-43.39
Dipole, Da:	3.2
IP(EA), eV:	-9.02(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenyl)-1-[4-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)CCCN3CCN(CC3)C(=O)CC4=CC=CC=C4C)F

DOS

IR

Vibrations