Geometry & MOs

Info

ID:	265451
PubChem CID:	103522300
Reduced:	BrON2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	286.168128
ΔH_f, kcal/mol:	-37.29
Dipole, Da:	5.9
IP(EA), eV:	-9.4(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(aminomethyl)-3-quinolin-4-ylpropanoate

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)Br)NCC2CCC(=O)N2

DOS

IR

Vibrations