Geometry & MOs

Info

ID:	37839
PubChem CID:	8025036
Reduced:	ClO3N4C17H22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	196.170139
ΔH_f, kcal/mol:	-103.56
Dipole, Da:	13.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.793178
Charge, e:	1

Chem-info

IUPAC name:

[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl-(3-methoxypropyl)azanium

Drug info:

PubChemData

Smile

CCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+](C)CC2=CC(=CC=C2)Cl)N

DOS

IR

Vibrations