Geometry & MOs

Info

ID:	442994
PubChem CID:	135257334
Reduced:	ClOSN7C20H24 (1)
Stoich.:	ABCD7E20F24 (1)
Weight, g/mol:	350.07422
ΔH_f, kcal/mol:	54.33
Dipole, Da:	5.73
IP(EA), eV:	-8.7(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-8-(7-bromo-3H-imidazo[4,5-c]pyridin-4-yl)-3-methyl-2-oxa-8-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

C[C@H]1[C@H](C2(CCN(CC2)C3=NC=C(N4C3=CC=N4)SC5=C(C(=NC=C5)N)Cl)CO1)N

DOS

IR

Vibrations