Geometry & MOs

Info

ID:	411483
PubChem CID:	135084314
Reduced:	NO2H11C13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	212.120115
ΔH_f, kcal/mol:	-24.53
Dipole, Da:	2.88
IP(EA), eV:	-9.49(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-3-but-3-enyl-2-methyl-2-(2-phenylethynyl)oxirane

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)C(=O)CC2=CC=NC=C2

DOS

IR

Vibrations