Geometry & MOs

Info

ID:	389880
PubChem CID:	134995720
Reduced:	NOC5H7 (2)
Stoich.:	ABC5D7 (2)
Weight, g/mol:	212.141244
ΔH_f, kcal/mol:	0.23
Dipole, Da:	5.36
IP(EA), eV:	-9.52(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S)-3-hydroxyoct-4-ynoate

Drug info:

PubChemData

Smile

CCN(CC1=CC=C(C=C1)C)[N+](=O)[O-]

DOS

IR

Vibrations