Geometry & MOs

Info

ID:	29812
PubChem CID:	837495
Reduced:	NO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	306.980299
ΔH_f, kcal/mol:	-91.79
Dipole, Da:	4.3
IP(EA), eV:	-8.46(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)[C@H](C)OC2=CC=CC=C2C

DOS

IR

Vibrations