Geometry & MOs

Info

ID:	311308
PubChem CID:	126590383
Reduced:	BrON2C17H25 (1)
Stoich.:	ABC2D17E25 (1)
Weight, g/mol:	629.24643
ΔH_f, kcal/mol:	-53.78
Dipole, Da:	3.87
IP(EA), eV:	-8.59(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 8-[3-bromo-2,6-dimethyl-5-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxo-2-propan-2-yloxyethyl]pyridin-4-yl]-2,8-diazaspiro[4.5]decane-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(N=C(C(=C1N2CCC3(CCCO3)CC2)Br)C)C

DOS

IR

Vibrations