Geometry & MOs

Info

ID:	341354
PubChem CID:	127264047
Reduced:	ClN2O2C18H27 (1)
Stoich.:	AB2C2D18E27 (1)
Weight, g/mol:	302.199428
ΔH_f, kcal/mol:	-125.18
Dipole, Da:	4.16
IP(EA), eV:	-9.35(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decane-8-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](C2(C1)CCN(CC2)C(=O)OCC3=CC=CC=C3)N.Cl

DOS

IR

Vibrations