Geometry & MOs

Info

ID:	225578
PubChem CID:	85856237
Reduced:	N2O4H24C33 (1)
Stoich.:	A2B4C24D33 (1)
Weight, g/mol:	244.107259
ΔH_f, kcal/mol:	-20.37
Dipole, Da:	2.63
IP(EA), eV:	-8.59(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-diamino-5-[(4-methylphenyl)diazenyl]-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3C2=C4C(C=CC=C4O)C5=CC(=C(C=C5)NC(=O)C6=CC=C(C=C6)C(=O)N)O

DOS

IR

Vibrations