Geometry & MOs

Info

ID:	144681
PubChem CID:	53398130
Reduced:	ClN2O4C12H15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	262.131742
ΔH_f, kcal/mol:	-111.53
Dipole, Da:	5.51
IP(EA), eV:	-10.27(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid;N-ethylethanamine

Drug info:

PubChemData

Smile

C1CC(NC1)(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O.Cl

DOS

IR

Vibrations