Geometry & MOs

Info

ID:	401879
PubChem CID:	135053187
Reduced:	ClN3H12C17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	237.090212
ΔH_f, kcal/mol:	118.78
Dipole, Da:	5.74
IP(EA), eV:	-9.22(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-azido-5-methylphenyl)-phenylmethanone

Drug info:

PubChemData

Smile

C/C(=C\C#N)/C1=CC=CC=C1N=C=NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations