Geometry & MOs

Info

ID:

194049

PubChem CID:

78472753

Reduced:

O4N6H7C9 (1)

Stoich.:

A4B6C7D9 (1)

Weight, g/mol:

280.121665

ΔHf, kcal/mol:

96.89

Dipole, Da:

2.48

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.299119

Charge, e:

 1

Chem-info

IUPAC name:

N-[(3-chlorophenyl)methylideneamino]-2-piperidin-1-ium-1-ylacetamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])C=NNC2=NON=C2N)[O-]

DOS

IR

Vibrations