Geometry & MOs

Info

ID:	208365
PubChem CID:	80525313
Reduced:	S2N3H13C16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	248.225249
ΔH_f, kcal/mol:	100.77
Dipole, Da:	4.62
IP(EA), eV:	-8.69(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-3-ethyl-2-pyridin-4-ylpentan-1-amine

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)C2=C(C(=C(S2)C#N)N)C3=CC=NC=C3

DOS

IR

Vibrations