Geometry & MOs

Info

ID:	204982
PubChem CID:	80039095
Reduced:	N3O3C13H15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	277.106256
ΔH_f, kcal/mol:	7.21
Dipole, Da:	9.18
IP(EA), eV:	-9.46(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-cyano-N-ethyl-3-nitroanilino)propanoate

Drug info:

PubChemData

Smile

C1CCNC(C1)COC2=CC(=C(C=C2)C#N)[N+](=O)[O-]

DOS

IR

Vibrations