Geometry & MOs

Info

ID:	201387
PubChem CID:	79531882
Reduced:	BrO2N3C9H12 (1)
Stoich.:	AB2C3D9E12 (1)
Weight, g/mol:	325.02483
ΔH_f, kcal/mol:	-59.75
Dipole, Da:	1.73
IP(EA), eV:	-8.42(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-N-(1-thiophen-2-ylbutyl)pyridine-2,5-diamine

Drug info:

PubChemData

Smile

CC(C(=O)OC)NC1=C(C=C(C=N1)N)Br

DOS

IR

Vibrations