Geometry & MOs

Info

ID:	151012
PubChem CID:	53790709
Reduced:	O4C7H10 (1)
Stoich.:	A4B7C10 (1)
Weight, g/mol:	312.111007
ΔH_f, kcal/mol:	-138.06
Dipole, Da:	4.23
IP(EA), eV:	-10.93(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-hydroxy-4-(2-hydroxy-4-oxopyridin-1-yl)-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile

Drug info:

PubChemData

Smile

C#CCCCC(C(=O)O)(O)O

DOS

IR

Vibrations