Geometry & MOs

Info

ID:	15534
PubChem CID:	443423
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	286.131742
ΔH_f, kcal/mol:	-93.28
Dipole, Da:	4.33
IP(EA), eV:	-9.46(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromene-6-carbonitrile

Drug info:

PubChemData

Smile

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3CCCC3=O)O)C

DOS

IR

Vibrations