Geometry & MOs

Info

ID:	200070
PubChem CID:	79343367
Reduced:	NOC19H21 (1)
Stoich.:	ABC19D21 (1)
Weight, g/mol:	296.098334
ΔH_f, kcal/mol:	42.45
Dipole, Da:	2.66
IP(EA), eV:	-8.49(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]prop-2-enyl]cyclopropanamine

Drug info:

PubChemData

Smile

C1CC1NCC=CC2=CC=C(C=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations