Geometry & MOs

Info

ID:	412861
PubChem CID:	135085790
Reduced:	N2O2C12H15 (1)
Stoich.:	A2B2C12D15 (1)
Weight, g/mol:	197.068808
ΔH_f, kcal/mol:	-17.65
Dipole, Da:	4.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.776987
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(furan-2-yl)-3-methoxyiminopropanoate

Drug info:

PubChemData

Smile

CCO/C(=C(/CC1=CC=C(C=C1)C)\[N+]#N)/O

DOS

IR

Vibrations