Geometry & MOs

Info

ID:	23426
PubChem CID:	603467
Reduced:	NO4C22H31 (1)
Stoich.:	AB4C22D31 (1)
Weight, g/mol:	373.225308
ΔH_f, kcal/mol:	-161.18
Dipole, Da:	5.73
IP(EA), eV:	-9.43(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[hydroxy(phenyl)methyl]-1-(7,7,9,9-tetramethyl-1,3-dioxa-8-azaspiro[4.5]decan-8-yl)but-3-en-1-one

Drug info:

PubChemData

Smile

CC1(CC2(CC(N1C(=O)C(C=C)C(C3=CC=CC=C3)O)(C)C)COCO2)C

DOS

IR

Vibrations