Geometry & MOs

Info

ID:	388730
PubChem CID:	134990013
Reduced:	O2C15H16 (1)
Stoich.:	A2B15C16 (1)
Weight, g/mol:	144.040916
ΔH_f, kcal/mol:	-60.09
Dipole, Da:	4.15
IP(EA), eV:	-9.09(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-nitro-1,4-dihydropyrimidin-3-ium-4-ol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C=C(C(=O)O2)CC=C(C)C

DOS

IR

Vibrations