Geometry & MOs

Info

ID:	189162
PubChem CID:	77823988
Reduced:	N3O7C30H37 (1)
Stoich.:	A3B7C30D37 (1)
Weight, g/mol:	393.278013
ΔH_f, kcal/mol:	-229.18
Dipole, Da:	4.35
IP(EA), eV:	-8.71(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)OC1=CC=CC(=C1)C2CCNCC2C(=O)N(C3CC3)C4=CC5=C(C=C4)OCC(=O)N5CCCOC

DOS

IR

Vibrations