Geometry & MOs

Info

ID:	311209
PubChem CID:	126589917
Reduced:	NOC12H15 (3)
Stoich.:	ABC12D15 (3)
Weight, g/mol:	465.1627
ΔH_f, kcal/mol:	-107.52
Dipole, Da:	6.93
IP(EA), eV:	-8.77(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 8-(3-acetyl-5-bromo-2,6-dimethylpyridin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)C2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3)N4CCC5(C4)CCCCCC5)CC(=O)OC(C)C

DOS

IR

Vibrations