Geometry & MOs

Info

ID:	180389
PubChem CID:	76626865
Reduced:	NO3C16H21 (2)
Stoich.:	AB3C16D21 (2)
Weight, g/mol:	428.209993
ΔH_f, kcal/mol:	-233.8
Dipole, Da:	2.73
IP(EA), eV:	-9.17(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[2-(3-phenylpiperidin-1-yl)-5H-chromeno[2,3-b]pyridin-5-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1C2CC(CCC2C(=O)ON1)NC(=O)C(CC3=CC=CC(=C3)C)(C4=CC=C(C=C4)C5(OCC(CO5)(C)C)C)O

DOS

IR

Vibrations