Geometry & MOs

Info

ID:	197068
PubChem CID:	78917639
Reduced:	BrSN2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	297.129969
ΔH_f, kcal/mol:	79.32
Dipole, Da:	2.74
IP(EA), eV:	-9.2(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methylthiophen-2-yl)-quinoxalin-6-ylmethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(C1=CC2=C(C=C1)N=CC=C2)C3=CC=C(S3)Br

DOS

IR

Vibrations