Geometry & MOs

Info

ID:	297827
PubChem CID:	117633159
Reduced:	ClON2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	284.05243
ΔH_f, kcal/mol:	-39.89
Dipole, Da:	2.28
IP(EA), eV:	-8.97(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(5-bromopyridin-2-yl)-4-(propan-2-ylamino)butan-2-one

Drug info:

PubChemData

Smile

CC(=O)[C@@H](CN1CCC(CC1)NC)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations