Geometry & MOs

Info

ID:	302464
PubChem CID:	124361859
Reduced:	FN3O3C22H30 (1)
Stoich.:	AB3C3D22E30 (1)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	-187.29
Dipole, Da:	7.37
IP(EA), eV:	-8.76(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4-one

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(=O)N1CCCCC1)NC(=O)[C@@H]2CC(=O)N(C2)C3=CC=C(C=C3)F

DOS

IR

Vibrations