Geometry & MOs

Info

ID:	88736
PubChem CID:	49956407
Reduced:	ClNOC14H15 (1)
Stoich.:	ABCD14E15 (1)
Weight, g/mol:	386.115911
ΔH_f, kcal/mol:	59.13
Dipole, Da:	1.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750026
Charge, e:	-1

Chem-info

IUPAC name:

methyl 4-[5-[[(2-hydroxy-2-phenylethyl)amino]methyl]furan-2-yl]benzoate;chloride

Drug info:

PubChemData

Smile

C=CCNCC1=CC=C(O1)C2=CC=CC=C2.[Cl-]

DOS

IR

Vibrations