Geometry & MOs

Info

ID:	358328
PubChem CID:	127295873
Reduced:	SN3O3C19H27 (1)
Stoich.:	AB3C3D19E27 (1)
Weight, g/mol:	380.209993
ΔH_f, kcal/mol:	-119.51
Dipole, Da:	4.97
IP(EA), eV:	-9.38(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-1-[4-(1-hydroxynaphthalene-2-carbonyl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)C(=O)CNC(=O)C3=CSC=C3

DOS

IR

Vibrations