Geometry & MOs

Info

ID:	162619
PubChem CID:	57410765
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	306.100442
ΔH_f, kcal/mol:	-76.62
Dipole, Da:	4.97
IP(EA), eV:	-8.18(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-cyano-4-(3-methylbut-1-ynyl)phenyl]-5-hydroxypyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1[C@H]2CN3CCC4=C([C@H]3CC2C(=CO1)C(=O)OC)NC5=C4C=C(C=C5)O

DOS

IR

Vibrations