Geometry & MOs

Info

ID:	304102
PubChem CID:	124493555
Reduced:	O2N3C14H21 (1)
Stoich.:	A2B3C14D21 (1)
Weight, g/mol:	267.137162
ΔH_f, kcal/mol:	-89.89
Dipole, Da:	3.84
IP(EA), eV:	-8.7(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(2-aminopyridin-3-yl)pyrrolidin-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@@H]1C2=C(N=CC=C2)N

DOS

IR

Vibrations