Geometry & MOs

Info

ID:	147701
PubChem CID:	53787358
Reduced:	NOSC15H15 (1)
Stoich.:	ABCD15E15 (1)
Weight, g/mol:	358.225643
ΔH_f, kcal/mol:	63.97
Dipole, Da:	1.42
IP(EA), eV:	-8.84(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-bis(2,5-dimethylpyrrol-1-yl)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=S)C2=C(ON=C2)C3CC3)C

DOS

IR

Vibrations