Geometry & MOs

Info

ID:	315990
PubChem CID:	126629575
Reduced:	ClOSN3C25H30 (1)
Stoich.:	ABCD3E25F30 (1)
Weight, g/mol:	133.089149
ΔH_f, kcal/mol:	35.74
Dipole, Da:	4.21
IP(EA), eV:	-8.1(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,5Z)-7-methylocta-3,5,7-trienenitrile

Drug info:

PubChemData

Smile

C=C1CC(CN1C2=CC=CC(C=C2)N3CCCCC3=O)CNC(=C)C4=CCC=C(S4)Cl

DOS

IR

Vibrations