Geometry & MOs

Info

ID:	88712
PubChem CID:	49956229
Reduced:	ClNO3C18H21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	351.148032
ΔH_f, kcal/mol:	-40.28
Dipole, Da:	1.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754501
Charge, e:	-2

Chem-info

IUPAC name:

1-[4-(1-oxa-8-azaspiro[4.5]decan-3-yl)-1,4-diazepan-1-yl]ethanone;dichloride

Drug info:

PubChemData

Smile

CCNCC1=CC=C(C=C1)OCC2=CC3=C(C=C2)OCCO3.[Cl-]

DOS

IR

Vibrations