Geometry & MOs

Info

ID:	406180
PubChem CID:	135076805
Reduced:	N3O4C17H17 (1)
Stoich.:	A3B4C17D17 (1)
Weight, g/mol:	247.084458
ΔH_f, kcal/mol:	-11.59
Dipole, Da:	2.22
IP(EA), eV:	-9.3(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(2-ethoxy-1-isocyano-2-oxoethyl)benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C(CO)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations