Geometry & MOs

Info

ID:	183273
PubChem CID:	77001192
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	220.030649
ΔH_f, kcal/mol:	-69.6
Dipole, Da:	5.15
IP(EA), eV:	-8.88(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methylidene-2-(5-methylthiophen-2-yl)-1H-pyrimidine-4,6-dione

Drug info:

PubChemData

Smile

CCN(CCOC)C(=O)CC1=CC=C(C=C1)C(=NO)N

DOS

IR

Vibrations