Geometry & MOs

Info

ID:	29344
PubChem CID:	833184
Reduced:	N3O4C18H19 (1)
Stoich.:	A3B4C18D19 (1)
Weight, g/mol:	312.074621
ΔH_f, kcal/mol:	-52.18
Dipole, Da:	4.98
IP(EA), eV:	-8.7(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC1=C(C2=CC=CC=C2C=C1)[C@H]3C(=C(N(C(=O)N3)C)C)[N+](=O)[O-]

DOS

IR

Vibrations