Geometry & MOs

Info

ID:	397443
PubChem CID:	135030225
Reduced:	ON4C18H22 (1)
Stoich.:	AB4C18D22 (1)
Weight, g/mol:	187.074562
ΔH_f, kcal/mol:	20.64
Dipole, Da:	6.8
IP(EA), eV:	-8.52(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-azido-3,4-dihydro-2H-naphthalen-1-one

Drug info:

PubChemData

Smile

C[C@@H]1CCN(C[C@@H]1N(C)C2=CC=CC3=C2NC=C3)C(=O)CC#N

DOS

IR

Vibrations