Geometry & MOs

Info

ID:	217130
PubChem CID:	85087301
Reduced:	OCl2N4C15H20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	335.126991
ΔH_f, kcal/mol:	-25.86
Dipole, Da:	5.06
IP(EA), eV:	-8.64(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-azido-5-methyl-1,2,3,4-tetrahydrochrysene-1,2,3-triol

Drug info:

PubChemData

Smile

C1CC2C(CNN2)C(C1)NC(=O)NCC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations