Geometry & MOs

Info

ID:	88535
PubChem CID:	49955217
Reduced:	ClS2N5C16H19 (1)
Stoich.:	AB2C5D16E19 (1)
Weight, g/mol:	330.066374
ΔH_f, kcal/mol:	153.71
Dipole, Da:	7.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750022
Charge, e:	-1

Chem-info

IUPAC name:

1-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]propan-2-ol;chloride

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CNCCCSC2=NN=NN2C3=CC=CC=C3.[Cl-]

DOS

IR

Vibrations