Geometry & MOs

Info

ID:	126882
PubChem CID:	50982963
Reduced:	N4C19H24 (1)
Stoich.:	A4B19C24 (1)
Weight, g/mol:	297.15896
ΔH_f, kcal/mol:	67.73
Dipole, Da:	3.82
IP(EA), eV:	-9.36(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=NNC(=C1)CN(C)CC2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations