Geometry & MOs

Info

ID:

147459

PubChem CID:

53787115

Reduced:

N3C21H22 (1)

Stoich.:

A3B21C22 (1)

Weight, g/mol:

169.029442

ΔHf, kcal/mol:

72.61

Dipole, Da:

2.06

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.149895

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methoxy]methanimine

Drug info:

PubChemData

Smile

CCN1C(C2=C(C=C[N+](=C2)C)C3=C1C=C(C=C3)N)C4=CC=CC=C4

DOS

IR

Vibrations