Geometry & MOs

Info

ID:	320269
PubChem CID:	126659110
Reduced:	N3H31C49 (1)
Stoich.:	A3B31C49 (1)
Weight, g/mol:	326.170253
ΔH_f, kcal/mol:	242.34
Dipole, Da:	0.79
IP(EA), eV:	-8.24(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-azidoethyl 1-(azidomethyl)-4-(2-hydroxyethoxy)-4-methylcyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C#N)C2=CC3=C4C=C5C6=C7C(=C(C=C6)C8C=CC=CN8)C=CC=C7C5=CC4=C(C=C3C9=CC=CC=C92)C1=C(C=C(C=C1)C#N)C

DOS

IR

Vibrations