Geometry & MOs

Info

ID:	399377
PubChem CID:	135039965
Reduced:	NOC13H25 (1)
Stoich.:	ABC13D25 (1)
Weight, g/mol:	280.099397
ΔH_f, kcal/mol:	-48.21
Dipole, Da:	1.48
IP(EA), eV:	-9.49(1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-azido-N-[2-(4-methylphenyl)sulfonylethenyl]propan-1-amine

Drug info:

PubChemData

Smile

CCC[C@H](CC[C@@H]1C=CCC[C@H]1C)NO

DOS

IR

Vibrations