Geometry & MOs

Info

ID:	418554
PubChem CID:	135105754
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	337.185335
ΔH_f, kcal/mol:	-35.21
Dipole, Da:	2.24
IP(EA), eV:	-8.31(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-difluorophenyl)-1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1C(C)C(=O)N2CCC3(CC2)C4=C(CCO3)C5=CC=CC=C5N4)C

DOS

IR

Vibrations