Geometry & MOs

Info

ID:	279599
PubChem CID:	103844436
Reduced:	BrO2N3C12H20 (1)
Stoich.:	AB2C3D12E20 (1)
Weight, g/mol:	272.188863
ΔH_f, kcal/mol:	-75.08
Dipole, Da:	5.35
IP(EA), eV:	-9.15(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[[(3-methylquinolin-2-yl)amino]methyl]butan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=C(C(=O)N(N=C1)C)Br)CO

DOS

IR

Vibrations