Geometry & MOs

Info

ID:	58863
PubChem CID:	24714992
Reduced:	SN2O3C18H18 (1)
Stoich.:	AB2C3D18E18 (1)
Weight, g/mol:	331.214744
ΔH_f, kcal/mol:	-73.43
Dipole, Da:	3.84
IP(EA), eV:	-8.89(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[[3-methoxypropyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

COCC(=O)NC1=CC=C(C=C1)C2N(C(=O)CS2)C3=CC=CC=C3

DOS

IR

Vibrations