Geometry & MOs

Info

ID:	168810
PubChem CID:	75021007
Reduced:	NO3F4C20H23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	520.304956
ΔH_f, kcal/mol:	-309.25
Dipole, Da:	1.85
IP(EA), eV:	-9.41(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-tert-butylphenyl)-2-[4-(2,4-dioxo-1,3-dipropyl-5,6,7,7a-tetrahydro-4aH-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide

Drug info:

PubChemData

Smile

CC(C)(CC1=CC=C(C=C1)F)NCC(COC2=CC=C(C=C2)OC(F)(F)F)O

DOS

IR

Vibrations