Geometry & MOs

Info

ID:	422474
PubChem CID:	135117897
Reduced:	ClN3O3C15H16 (1)
Stoich.:	AB3C3D15E16 (1)
Weight, g/mol:	300.195011
ΔH_f, kcal/mol:	-68.45
Dipole, Da:	2.96
IP(EA), eV:	-9.26(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R,6R)-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide

Drug info:

PubChemData

Smile

C1[C@H](CN([C@@H]1C(=O)O)CC2=CN(N=C2)C3=CC(=CC=C3)Cl)O

DOS

IR

Vibrations