Geometry & MOs

Info

ID:	419731
PubChem CID:	135108914
Reduced:	N3O3C19H29 (1)
Stoich.:	A3B3C19D29 (1)
Weight, g/mol:	227.152144
ΔH_f, kcal/mol:	-113.73
Dipole, Da:	2.85
IP(EA), eV:	-8.88(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]acetic acid

Drug info:

PubChemData

Smile

COCCN1CCC(CC1)C(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations