Geometry & MOs

Info

ID:	414118
PubChem CID:	135087072
Reduced:	NOC18H27 (1)
Stoich.:	ABC18D27 (1)
Weight, g/mol:	304.276616
ΔH_f, kcal/mol:	-54.94
Dipole, Da:	3.63
IP(EA), eV:	-9.44(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-henicos-12-en-6-yn-11-one

Drug info:

PubChemData

Smile

CC(C)CNC(=O)/C(=C/C1=CC=CC=C1)/CC(C)(C)C

DOS

IR

Vibrations