Geometry & MOs

Info

ID:	411402
PubChem CID:	135084225
Reduced:	NOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	156.0939
ΔH_f, kcal/mol:	-29.57
Dipole, Da:	5.01
IP(EA), eV:	-8.76(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethynyl-2-methylcyclopropyl)benzene

Drug info:

PubChemData

Smile

CC1(CC(=O)N1C(=C)C2CCCCC2)C=C

DOS

IR

Vibrations