Geometry & MOs

Info

ID:	416421
PubChem CID:	135089434
Reduced:	O2N5C21H33 (1)
Stoich.:	A2B5C21D33 (1)
Weight, g/mol:	371.105499
ΔH_f, kcal/mol:	-64.92
Dipole, Da:	5.47
IP(EA), eV:	-8.59(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@]1(C[C@H]2CC[C@@H]1N2C3=NC=C(C(=N3)N)C)C(=O)N(C)CC4CCOCC4

DOS

IR

Vibrations