Geometry & MOs

Info

ID:	364382
PubChem CID:	127315559
Reduced:	O3N4C19H32 (1)
Stoich.:	A3B4C19D32 (1)
Weight, g/mol:	397.236542
ΔH_f, kcal/mol:	-157.16
Dipole, Da:	5.17
IP(EA), eV:	-8.68(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1H-inden-5-yl)-4-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]butane-1,4-dione

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C2CCCN2C(=O)CNC(=O)CC3CCCC3

DOS

IR

Vibrations