Geometry & MOs

Info

ID:	88647
PubChem CID:	49955897
Reduced:	ClO3N5H17C18 (1)
Stoich.:	AB3C5D17E18 (1)
Weight, g/mol:	281.061229
ΔH_f, kcal/mol:	72.64
Dipole, Da:	5.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750025
Charge, e:	-1

Chem-info

IUPAC name:

2-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)ethanamine;chloride

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C=N3.[Cl-]

DOS

IR

Vibrations