Geometry & MOs

Info

ID:	418286
PubChem CID:	135104072
Reduced:	ON4C19H22 (1)
Stoich.:	AB4C19D22 (1)
Weight, g/mol:	323.169685
ΔH_f, kcal/mol:	24.78
Dipole, Da:	4.59
IP(EA), eV:	-9.03(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-difluorophenyl)-1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)C1=NC(=C(C=C1)C#N)N2C[C@H]([C@H](C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations