Geometry & MOs

Info

ID:	233532
PubChem CID:	91145341
Reduced:	O2N4C13H13 (1)
Stoich.:	A2B4C13D13 (1)
Weight, g/mol:	278.101505
ΔH_f, kcal/mol:	114.75
Dipole, Da:	2.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.043677
Charge, e:	0

Chem-info

IUPAC name:

N-(2-azidoacetyl)-2-(2,5-dimethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

C1=C[N+](=CN2C=CC(=CN=O)C=C2)C=CC1CN=O

DOS

IR

Vibrations