Geometry & MOs

Info

ID:	448306
PubChem CID:	135290029
Reduced:	BrNO4H14C17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	317.126323
ΔH_f, kcal/mol:	-101.75
Dipole, Da:	3.62
IP(EA), eV:	-9.18(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O)Br

DOS

IR

Vibrations