Geometry & MOs

Info

ID:	159477
PubChem CID:	57288134
Reduced:	SN2O5C24H24 (1)
Stoich.:	AB2C5D24E24 (1)
Weight, g/mol:	204.172545
ΔH_f, kcal/mol:	-85.81
Dipole, Da:	8.16
IP(EA), eV:	-9.3(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(1-propoxybutoxy)propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1S(=O)(=O)C[N+](=O)[O-])C)C2CCCN2C(=O)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations