Geometry & MOs

Info

ID:	89495
PubChem CID:	49962096
Reduced:	ClNC13H23 (1)
Stoich.:	ABC13D23 (1)
Weight, g/mol:	214.136252
ΔH_f, kcal/mol:	18.2
Dipole, Da:	1.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750022
Charge, e:	-1

Chem-info

IUPAC name:

2,2-bis(prop-2-enyl)azepane;chloride

Drug info:

PubChemData

Smile

CC(=C)CC1(CCCCN1)CC(=C)C.[Cl-]

DOS

IR

Vibrations