Geometry & MOs

Info

ID:	124401
PubChem CID:	50881791
Reduced:	ClO2N3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	354.01162
ΔH_f, kcal/mol:	-41.56
Dipole, Da:	1.73
IP(EA), eV:	-8.16(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromophenyl)methyl]-5-(1,2,4-triazol-4-yl)-1,3-benzoxazole

Drug info:

PubChemData

Smile

CN(C)C1=CC(=C(C=C1N)Cl)NC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations