Geometry & MOs

Info

ID:	282728
PubChem CID:	103937307
Reduced:	ON3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	266.153147
ΔH_f, kcal/mol:	-22.77
Dipole, Da:	1.83
IP(EA), eV:	-8.45(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[6-[(1S)-1-aminopropyl]pyridin-3-yl]-methylamino]benzonitrile

Drug info:

PubChemData

Smile

CC[C@@H](C1=NC=C(C=C1)N2CCCOCC2)N

DOS

IR

Vibrations