Geometry & MOs

Info

ID:	136358
PubChem CID:	52027572
Reduced:	ON4C19H20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	398.07422
ΔH_f, kcal/mol:	17.88
Dipole, Da:	7.55
IP(EA), eV:	-8.73(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-aminopyridin-3-yl)-[(2S)-2-(5-bromo-1-methylindol-3-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)NC=C2[C@@H]3CCCN3C(=O)C4=CC(=CN=C4)N

DOS

IR

Vibrations