Geometry & MOs

Info

ID:	415709
PubChem CID:	135088709
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	315.219829
ΔH_f, kcal/mol:	-38.65
Dipole, Da:	2.94
IP(EA), eV:	-8.53(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethylphenyl)-1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)C(=O)CN3C=CC4=CC=CC=C43

DOS

IR

Vibrations