Geometry & MOs

Info

ID:	194787
PubChem CID:	78589569
Reduced:	Cl2N3O5H13C16 (1)
Stoich.:	A2B3C5D13E16 (1)
Weight, g/mol:	369.132471
ΔH_f, kcal/mol:	-115.1
Dipole, Da:	6.44
IP(EA), eV:	-9.23(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-(3-ethoxypropyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)Cl)Cl)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N

DOS

IR

Vibrations