Geometry & MOs

Info

ID:	397027
PubChem CID:	135029620
Reduced:	ON2H12C13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	173.071975
ΔH_f, kcal/mol:	6.74
Dipole, Da:	4.63
IP(EA), eV:	-9.61(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-1-azido-2-chlorocycloheptane

Drug info:

PubChemData

Smile

CC1=C(N=C(C=C1)C(=O)N)C2=CC=CC=C2

DOS

IR

Vibrations