Geometry & MOs

Info

ID:	161058
PubChem CID:	57390644
Reduced:	NOC9H10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	281.152812
ΔH_f, kcal/mol:	-19.21
Dipole, Da:	2.69
IP(EA), eV:	-9.6(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-2-cyano-N-cyclopropyl-5-[4-(dimethylamino)phenyl]penta-2,4-dienamide

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=CC=C1)/C=C(\C#N)/C(=O)NCC2CCCO2

DOS

IR

Vibrations