Geometry & MOs

Info

ID:	85596
PubChem CID:	49877519
Reduced:	ClON2C22H32 (1)
Stoich.:	ABC2D22E32 (1)
Weight, g/mol:	306.089696
ΔH_f, kcal/mol:	15.97
Dipole, Da:	3.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750029
Charge, e:	-1

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-4-(4-methoxyphenoxy)but-2-yn-1-amine;chloride

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCCCNCCN(C)C.[Cl-]

DOS

IR

Vibrations