Geometry & MOs

Info

ID:	427243
PubChem CID:	135156387
Reduced:	O2N3C24H31 (1)
Stoich.:	A2B3C24D31 (1)
Weight, g/mol:	332.173607
ΔH_f, kcal/mol:	-53.91
Dipole, Da:	3.49
IP(EA), eV:	-8.24(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(CN1CCC/C(=C/C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N)/CC1)O

DOS

IR

Vibrations