Geometry & MOs

Info

ID:	298619
PubChem CID:	117651843
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	441.181919
ΔH_f, kcal/mol:	-21.58
Dipole, Da:	2.21
IP(EA), eV:	-8.84(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(2-chlorophenyl)carbamate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)ON2CCC3(CC2)CC(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations