Geometry & MOs

Info

ID:	286200
PubChem CID:	104160171
Reduced:	ON3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	176.131349
ΔH_f, kcal/mol:	-24.5
Dipole, Da:	6.44
IP(EA), eV:	-9.27(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(1R)-1-pyridin-2-ylethyl]but-2-en-1-amine

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=N1)NCC2CCC(=O)N2

DOS

IR

Vibrations