Geometry & MOs

Info

ID:	209590
PubChem CID:	80690881
Reduced:	ClNSO2C16H24 (1)
Stoich.:	ABCD2E16F24 (1)
Weight, g/mol:	320.08881
ΔH_f, kcal/mol:	-104.0
Dipole, Da:	3.73
IP(EA), eV:	-9.52(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-propan-2-yl-N-(quinolin-2-ylmethyl)propan-1-amine

Drug info:

PubChemData

Smile

CC(CS(=O)(=O)NC1(CCCCC1)CCl)C2=CC=CC=C2

DOS

IR

Vibrations