Geometry & MOs

Info

ID:	385292
PubChem CID:	134978711
Reduced:	BIC16H20 (1)
Stoich.:	ABC16D20 (1)
Weight, g/mol:	233.21435
ΔH_f, kcal/mol:	16.63
Dipole, Da:	3.09
IP(EA), eV:	-9.15(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hept-1-ynyl-1-prop-2-enylazepane

Drug info:

PubChemData

Smile

B1(C2CCCC1CCC2)/C=C(\C3=CC=CC=C3)/I

DOS

IR

Vibrations