Geometry & MOs

Info

ID:	416301
PubChem CID:	135089314
Reduced:	ON5C14H21 (1)
Stoich.:	AB5C14D21 (1)
Weight, g/mol:	321.154035
ΔH_f, kcal/mol:	9.63
Dipole, Da:	3.89
IP(EA), eV:	-9.35(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-difluorophenyl)-1-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)C1=NC=C(C=N1)CN(CCO)CC2=NC=CN2

DOS

IR

Vibrations