Geometry & MOs

Info

ID:	4938
PubChem CID:	12307
Reduced:	NC3O3H7 (1)
Stoich.:	AB3C3D7 (1)
Weight, g/mol:	105.042593
ΔH_f, kcal/mol:	-48.88
Dipole, Da:	3.58
IP(EA), eV:	-11.66(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl nitrate

Drug info:

PubChemData

Smile

CCCO[N+](=O)[O-]

DOS

IR

Vibrations