Geometry & MOs

Info

ID:	216135
PubChem CID:	85085772
Reduced:	O2N3C12H13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	231.100777
ΔH_f, kcal/mol:	-11.66
Dipole, Da:	11.06
IP(EA), eV:	-9.52(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-cyano-3-pyridin-3-ylprop-1-enyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)N(N=N2)C(=CC(=O)O)C

DOS

IR

Vibrations