Geometry & MOs

Info

ID:

150324

PubChem CID:

53790012

Reduced:

N2O3H11C15 (1)

Stoich.:

A2B3C11D15 (1)

Weight, g/mol:

152.058578

ΔHf, kcal/mol:

-57.03

Dipole, Da:

8.47

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.094574

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-methylphenyl)nitramide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C[N+]3=C(C=C2)NC=C(C3=O)C(=O)O

DOS

IR

Vibrations