Geometry & MOs

Info

ID:	415270
PubChem CID:	135088262
Reduced:	O3N4C12H20 (1)
Stoich.:	A3B4C12D20 (1)
Weight, g/mol:	391.116206
ΔH_f, kcal/mol:	-127.0
Dipole, Da:	5.42
IP(EA), eV:	-9.5(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-chloro-5-(trifluoromethyl)phenyl]-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

Drug info:

PubChemData

Smile

CC(=O)NCCCC(=O)N(CCO)CC1=NC=CN1

DOS

IR

Vibrations