Geometry & MOs

Info

ID:	403651
PubChem CID:	135061210
Reduced:	N2O3C18H24 (2)
Stoich.:	A2B3C18D24 (2)
Weight, g/mol:	226.172151
ΔH_f, kcal/mol:	-209.11
Dipole, Da:	3.01
IP(EA), eV:	-9.75(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-ethenyl-6,6-dimethylhept-4-ynyl]benzene

Drug info:

PubChemData

Smile

CC(CC(C1=CC=CC=C1)N2C=C(N=N2)CCC(=O)OCCCCCCCCCCN3C(=O)C4C5CC(C4C3=O)C=C5)C(=O)OC

DOS

IR

Vibrations