Geometry & MOs

Info

ID:	184072
PubChem CID:	77105507
Reduced:	OSN4C34H41 (1)
Stoich.:	ABC4D34E41 (1)
Weight, g/mol:	338.116761
ΔH_f, kcal/mol:	58.99
Dipole, Da:	3.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.102567
Charge, e:	0

Chem-info

IUPAC name:

2-(3-azidophenyl)-4,5-diphenyl-1,3-oxazole

Drug info:

PubChemData

Smile

CCCCN(CCCN(C)C)C1=[N+](C2=C(C=CC(=C2)OC)C(=C1)/C=C\3/N(C4=CC=CC=C4S3)C)C5=CC=CC=C5

DOS

IR

Vibrations