Geometry & MOs

Info

ID:	338262
PubChem CID:	127258954
Reduced:	BrN2O2C15H17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	322.03169
ΔH_f, kcal/mol:	-53.69
Dipole, Da:	3.14
IP(EA), eV:	-9.35(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(6-bromoquinolin-4-yl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations