Geometry & MOs

Info

ID:	150166
PubChem CID:	53789853
Reduced:	OC4H5 (4)
Stoich.:	AB4C5 (4)
Weight, g/mol:	535.319878
ΔH_f, kcal/mol:	-152.05
Dipole, Da:	1.67
IP(EA), eV:	-9.17(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-[2-amino-1-(2-phenylmethoxyphenyl)heptan-4-yl]piperazin-1-yl]-naphthalen-1-ylmethanone

Drug info:

PubChemData

Smile

CCC(CC(=O)C)C(=O)CC(=O)COC1=CC=CC=C1

DOS

IR

Vibrations