Geometry & MOs

Info

ID:	189907
PubChem CID:	77921622
Reduced:	O2N4H22C25 (1)
Stoich.:	A2B4C22D25 (1)
Weight, g/mol:	417.145534
ΔH_f, kcal/mol:	75.3
Dipole, Da:	3.51
IP(EA), eV:	-8.45(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-chloro-4-[(4-methyl-1,3-dioxetan-2-yl)methyl]phenoxy]-8-azabicyclo[3.2.1]octan-8-yl]-imidazol-1-ylmethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C=C3C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NN3)N

DOS

IR

Vibrations