Geometry & MOs

Info

ID:	387562
PubChem CID:	134985877
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	174.140851
ΔH_f, kcal/mol:	-63.34
Dipole, Da:	3.42
IP(EA), eV:	-9.49(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-hept-4-enyl]benzene

Drug info:

PubChemData

Smile

C[C@H](C#N)[C@H](CCC(=O)OC)CC1=CC=CC=C1

DOS

IR

Vibrations