Geometry & MOs

Info

ID:	412372
PubChem CID:	135085262
Reduced:	AlNC15H33 (1)
Stoich.:	ABC15D33 (1)
Weight, g/mol:	206.167065
ΔH_f, kcal/mol:	-67.97
Dipole, Da:	5.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763041
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methoxy-4,4-dimethylpent-2-ynyl)cyclohexene

Drug info:

PubChemData

Smile

CC[Al-](CC)(CC)N1C(CCCC1(C)C)(C)C

DOS

IR

Vibrations