Geometry & MOs

Info

ID:	392265
PubChem CID:	135014005
Reduced:	NO3C11H13 (2)
Stoich.:	AB3C11D13 (2)
Weight, g/mol:	204.151415
ΔH_f, kcal/mol:	-239.89
Dipole, Da:	6.63
IP(EA), eV:	-9.28(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oct-1-ynylcyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(=O)C2=C(C1=O)N(C3=CC=CC=C32)C(=O)OC(C)(C)C

DOS

IR

Vibrations