Geometry & MOs

Info

ID:	281015
PubChem CID:	103852405
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	262.095357
ΔH_f, kcal/mol:	-88.28
Dipole, Da:	6.54
IP(EA), eV:	-9.96(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-4-nitrophenyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCCN(C1)C(=O)C2=CN=NC=C2

DOS

IR

Vibrations