Geometry & MOs

Info

ID:	360885
PubChem CID:	127301539
Reduced:	O4N5C16H25 (1)
Stoich.:	A4B5C16D25 (1)
Weight, g/mol:	381.191323
ΔH_f, kcal/mol:	-103.62
Dipole, Da:	8.74
IP(EA), eV:	-8.98(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-oxo-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-1,2,3-benzotriazin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)N2CCN(CC2)C(C)C(=O)N3CCOCC3

DOS

IR

Vibrations