Geometry & MOs

Info

ID:	189163
PubChem CID:	77823989
Reduced:	ON3C25H35 (1)
Stoich.:	AB3C25D35 (1)
Weight, g/mol:	405.278013
ΔH_f, kcal/mol:	-29.45
Dipole, Da:	3.49
IP(EA), eV:	-8.41(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-aminophenyl)methyl]-5-methylidene-3-pentan-3-yl-6-(2,3,4,5-tetrahydro-1H-inden-2-yl)piperazin-2-one

Drug info:

PubChemData

Smile

CCC(CC)C1C(=O)NC(CN1CC2=CC=C(C=C2)N)C3CC4=C(C3)C=CCC4

DOS

IR

Vibrations