Geometry & MOs

Info

ID:	187433
PubChem CID:	77571712
Reduced:	NSC4O4H11 (2)
Stoich.:	ABC4D4E11 (2)
Weight, g/mol:	538.326754
ΔH_f, kcal/mol:	-350.66
Dipole, Da:	2.9
IP(EA), eV:	-9.38(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-[2-(diethylamino)ethoxy]anilino]-3-[(4-methoxyphenyl)methyl]-1-propan-2-yl-4a,5,6,7,8,8a-hexahydropyrimido[4,5-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCC1CCC(C(C1)N)N.OS(=O)(=O)O.OS(=O)(=O)O

DOS

IR

Vibrations