Geometry & MOs

Info

ID:	26132
PubChem CID:	639107
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	192.053492
ΔH_f, kcal/mol:	-86.51
Dipole, Da:	6.49
IP(EA), eV:	-8.96(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-5-methylidene-2H-furan-2-yl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)C2=CC=CC=C2)OC[C@H](CN(C(C)C)C(C)C)O)C

DOS

IR

Vibrations