Geometry & MOs

Info

ID:	404799
PubChem CID:	135071062
Reduced:	N2O2H10C17 (1)
Stoich.:	A2B2C10D17 (1)
Weight, g/mol:	313.188923
ΔH_f, kcal/mol:	42.83
Dipole, Da:	1.22
IP(EA), eV:	-10.36(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-6-[formyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]non-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C#N)/C=C(\C2=CC=CC(=C2)C#N)/C(=O)O

DOS

IR

Vibrations