Geometry & MOs

Info

ID:	420833
PubChem CID:	135114904
Reduced:	ClN2O3C21H29 (1)
Stoich.:	AB2C3D21E29 (1)
Weight, g/mol:	321.149557
ΔH_f, kcal/mol:	-157.69
Dipole, Da:	4.25
IP(EA), eV:	-8.93(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-6-methylphenyl)-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Cl)C)OC(C)(C)C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)NC[C@@H]3C2

DOS

IR

Vibrations