Geometry & MOs

Info

ID:	431265
PubChem CID:	135171336
Reduced:	NS2O6C16H24 (1)
Stoich.:	AB2C6D16E24 (1)
Weight, g/mol:	238.19328
ΔH_f, kcal/mol:	-236.27
Dipole, Da:	8.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751914
Charge, e:	0

Chem-info

IUPAC name:

2,5-ditert-butyl-4-methoxycyclohexa-1,5-dien-1-ol

Drug info:

PubChemData

Smile

C[N+](C)(CCOC(=O)C1CC(=O)SC1)CCOC(=O)C2CC(=O)SC2

DOS

IR

Vibrations