Geometry & MOs

Info

ID:	407660
PubChem CID:	135080410
Reduced:	OC16H18 (1)
Stoich.:	AB16C18 (1)
Weight, g/mol:	176.131349
ΔH_f, kcal/mol:	-1.56
Dipole, Da:	2.84
IP(EA), eV:	-9.5(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(Z)-3-methylidenehept-1-enyl]pyrazole

Drug info:

PubChemData

Smile

C=CC(=C1CCCCC1)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations