Geometry & MOs

Info

ID:	338260
PubChem CID:	127258952
Reduced:	BrN3H14C17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	350.06299
ΔH_f, kcal/mol:	94.1
Dipole, Da:	4.16
IP(EA), eV:	-8.44(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(6-bromoquinolin-4-yl)amino]-5-methylhexanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC2=NC=CC3=CC(=CN=C32)C=C

DOS

IR

Vibrations