Geometry & MOs

Info

ID:	259730
PubChem CID:	103173237
Reduced:	SN2O2C12H20 (1)
Stoich.:	AB2C2D12E20 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-56.24
Dipole, Da:	5.92
IP(EA), eV:	-8.28(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(3,4-dimethoxypyridin-2-yl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine

Drug info:

PubChemData

Smile

CC(CCSCC1=NC=CC(=C1OC)OC)N

DOS

IR

Vibrations