Geometry & MOs

Info

ID:	124571
PubChem CID:	50887798
Reduced:	NO3H10C11 (2)
Stoich.:	AB3C10D11 (2)
Weight, g/mol:	397.127385
ΔH_f, kcal/mol:	-196.75
Dipole, Da:	7.0
IP(EA), eV:	-9.3(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-2-cyano-3-[5-(2-morpholin-4-yl-5-nitrophenyl)furan-2-yl]prop-2-enoate

Drug info:

PubChemData

Smile

C1CCC(CC1)OC(=O)C2=CC=CC(=C2)C3=CC=C(O3)C=C4C(=O)NC(=O)NC4=O

DOS

IR

Vibrations