Geometry & MOs

Info

ID:	217310
PubChem CID:	85087597
Reduced:	NO2C24H25 (1)
Stoich.:	AB2C24D25 (1)
Weight, g/mol:	351.183444
ΔH_f, kcal/mol:	-13.69
Dipole, Da:	4.51
IP(EA), eV:	-9.2(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-(2-methyl-1-oxopropan-2-yl)phenyl]-7-pyridin-3-ylhept-6-enoic acid

Drug info:

PubChemData

Smile

C1CCC2C(C1)C3C(N2)C(=O)C(=CO3)C(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations