Geometry & MOs

Info

ID:	153026
PubChem CID:	56312141
Reduced:	O2N3C24H27 (1)
Stoich.:	A2B3C24D27 (1)
Weight, g/mol:	434.268176
ΔH_f, kcal/mol:	-31.63
Dipole, Da:	7.85
IP(EA), eV:	-8.74(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)C3=C(NC4=CC=CC=C43)C

DOS

IR

Vibrations