Geometry & MOs

Info

ID:	204481
PubChem CID:	79969681
Reduced:	OSN2C9H16 (1)
Stoich.:	ABC2D9E16 (1)
Weight, g/mol:	286.240899
ΔH_f, kcal/mol:	-28.65
Dipole, Da:	4.03
IP(EA), eV:	-8.45(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-cyclopropylphenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine

Drug info:

PubChemData

Smile

C1CCN(C1)C(=N)C2CSCCO2

DOS

IR

Vibrations