Geometry & MOs

Info

ID:	411585
PubChem CID:	135084417
Reduced:	ClN3C6H10 (1)
Stoich.:	AB3C6D10 (1)
Weight, g/mol:	180.162649
ΔH_f, kcal/mol:	10.31
Dipole, Da:	3.79
IP(EA), eV:	-10.01(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4R)-2-(diazomethyl)-4-methyl-1-propan-2-ylcyclohexane

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CN[NH3+].[Cl-]

DOS

IR

Vibrations