Geometry & MOs

Info

ID:	156025
PubChem CID:	56368820
Reduced:	SN4O4C21H24 (1)
Stoich.:	AB4C4D21E24 (1)
Weight, g/mol:	459.215806
ΔH_f, kcal/mol:	-65.41
Dipole, Da:	2.3
IP(EA), eV:	-9.06(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidin-2-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CS1)CNC(=O)NNC(=O)C2=CC=C(O2)COC3=CC=CC=C3

DOS

IR

Vibrations