Geometry & MOs

Info

ID:	417794
PubChem CID:	135102773
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	368.191149
ΔH_f, kcal/mol:	21.54
Dipole, Da:	1.93
IP(EA), eV:	-8.99(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-difluorophenyl)-N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide

Drug info:

PubChemData

Smile

CCCC1=CN=C(N=C1NCC2=CC(=NO2)C3=CC(=CC=C3)OC)C

DOS

IR

Vibrations