Geometry & MOs

Info

ID:	149272
PubChem CID:	53788944
Reduced:	SN3O3C17H19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	117.042593
ΔH_f, kcal/mol:	-30.18
Dipole, Da:	1.48
IP(EA), eV:	-8.32(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enyl nitrate

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC=C1CS(=O)C2=NC3=CC(=C(C=C3N2)O)OC

DOS

IR

Vibrations