Geometry & MOs

Info

ID:	153256
PubChem CID:	56312425
Reduced:	O2N3C23H35 (1)
Stoich.:	A2B3C23D35 (1)
Weight, g/mol:	416.209993
ΔH_f, kcal/mol:	-108.2
Dipole, Da:	2.92
IP(EA), eV:	-9.01(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one

Drug info:

PubChemData

Smile

CC1CCCC(C1C)NC(=O)CN2CCN(CC2)C(=O)CC3=CC=CC=C3C

DOS

IR

Vibrations