Geometry & MOs

Info

ID:	69466
PubChem CID:	47184467
Reduced:	OSBr2N2H8C10 (1)
Stoich.:	ABC2D2E8F10 (1)
Weight, g/mol:	331.99828
ΔH_f, kcal/mol:	23.53
Dipole, Da:	0.9
IP(EA), eV:	-9.4(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromothiophen-3-yl)methyl]-4-methylquinolin-2-amine

Drug info:

PubChemData

Smile

C1=C(NC=C1Br)C(=O)NCC2=CSC(=C2)Br

DOS

IR

Vibrations