Geometry & MOs

Info

ID:	338261
PubChem CID:	127258953
Reduced:	BrN2O2C16H19 (1)
Stoich.:	AB2C2D16E19 (1)
Weight, g/mol:	336.04734
ΔH_f, kcal/mol:	-59.33
Dipole, Da:	3.09
IP(EA), eV:	-9.31(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-2-[(6-bromoquinolin-4-yl)amino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(C)CC[C@H](C(=O)O)NC1=C2C=C(C=CC2=NC=C1)Br

DOS

IR

Vibrations