Geometry & MOs

Info

ID:	189002
PubChem CID:	77801992
Reduced:	ClO2N3C23H30 (1)
Stoich.:	AB2C3D23E30 (1)
Weight, g/mol:	486.07265
ΔH_f, kcal/mol:	-63.38
Dipole, Da:	3.76
IP(EA), eV:	-8.74(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-diamino-2-(5-methoxy-2-propoxyphenyl)-5H-pyrimidin-4-one;sulfuric acid

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC(=C(C=C1)N(C)C(CN2CCC(C2)O)C3=CC=CC=C3)Cl

DOS

IR

Vibrations