Geometry & MOs

Info

ID:	406404
PubChem CID:	135077514
Reduced:	NOC19H19 (1)
Stoich.:	ABC19D19 (1)
Weight, g/mol:	214.135765
ΔH_f, kcal/mol:	45.64
Dipole, Da:	5.24
IP(EA), eV:	-8.62(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-ethyl-7-phenylhept-4-en-6-yn-3-ol

Drug info:

PubChemData

Smile

CN(C)/C(=C/C(=C/C=O)/C1=CC=CC=C1)/C2=CC=CC=C2

DOS

IR

Vibrations