Geometry & MOs

Info

ID:	138230
PubChem CID:	52331910
Reduced:	O2N3C17H20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	-4.2
Dipole, Da:	3.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.006699
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbohydrazide

Drug info:

PubChemData

Smile

C1CC[NH+](C1)CC2=CC(=CC=C2)C(=O)NC3=C(C=CC=N3)O

DOS

IR

Vibrations