Geometry & MOs

Info

ID:	176978
PubChem CID:	76121274
Reduced:	SN2O4C16H24 (1)
Stoich.:	AB2C4D16E24 (1)
Weight, g/mol:	371.257277
ΔH_f, kcal/mol:	-174.11
Dipole, Da:	3.14
IP(EA), eV:	-9.18(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-butyl-4-[4-(dimethylamino)phenyl]piperidin-3-yl]methyl]pyrrole-2,5-diol

Drug info:

PubChemData

Smile

CC1C(C(=O)NC(=S)N1)C(=O)OCCCCCCC(=O)C(=C)C

DOS

IR

Vibrations