Geometry & MOs

Info

ID:	126849
PubChem CID:	50981626
Reduced:	O2N3C17H21 (1)
Stoich.:	A2B3C17D21 (1)
Weight, g/mol:	332.127326
ΔH_f, kcal/mol:	-33.4
Dipole, Da:	6.35
IP(EA), eV:	-8.79(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-cyclopropyl-2-phenyl-1,2,4-triazol-3-yl)methyl]-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCNCCC(=O)NC2=CN=CC=C2

DOS

IR

Vibrations