Geometry & MOs

Info

ID:	25519
PubChem CID:	626110
Reduced:	OC21H24 (1)
Stoich.:	AB21C24 (1)
Weight, g/mol:	292.132411
ΔH_f, kcal/mol:	-31.67
Dipole, Da:	1.12
IP(EA), eV:	-8.36(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-azidophenyl)-1-[4-(dimethylamino)phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=C(C=C2)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations