Geometry & MOs

Info

ID:	27995
PubChem CID:	824681
Reduced:	O4C15H20 (1)
Stoich.:	A4B15C20 (1)
Weight, g/mol:	264.041403
ΔH_f, kcal/mol:	-160.09
Dipole, Da:	5.0
IP(EA), eV:	-8.45(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-[(4-chlorophenyl)methylideneamino]-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CO[C@@H](C23CCCC3)O)OC

DOS

IR

Vibrations