Geometry & MOs

Info

ID:	204567
PubChem CID:	79983948
Reduced:	IN3C13H14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	258.209599
ΔH_f, kcal/mol:	95.78
Dipole, Da:	4.52
IP(EA), eV:	-8.84(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyclopropylphenyl)-2-(2-methylpiperidin-1-yl)ethanamine

Drug info:

PubChemData

Smile

C1CC1C2=CC=CC(=C2)CN3C(=C(C=N3)I)N

DOS

IR

Vibrations