Geometry & MOs

Info

ID:	177362
PubChem CID:	76174210
Reduced:	FN2O4H17C20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	245.006598
ΔH_f, kcal/mol:	-128.16
Dipole, Da:	9.25
IP(EA), eV:	-10.02(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(3-chlorophenyl)thiophen-2-yl]prop-2-enenitrile

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)F)C(=C3C(=C(C(=O)N(C3=O)C(C)C)C#N)C)O

DOS

IR

Vibrations