Geometry & MOs

Info

ID:	148386
PubChem CID:	53788048
Reduced:	NOH15C17 (1)
Stoich.:	ABC15D17 (1)
Weight, g/mol:	417.168856
ΔH_f, kcal/mol:	7.31
Dipole, Da:	2.17
IP(EA), eV:	-8.15(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(7-butyl-2,5-dioxo-3,8-dihydroimidazo[1,2-a]pyrimidin-6-yl)methyl]phenyl]benzoic acid

Drug info:

PubChemData

Smile

CN1CCC2=C3C1=C(C4=CC=CC=C4C3=CC=C2)O

DOS

IR

Vibrations