Geometry & MOs

Info

ID:	265333
PubChem CID:	103517577
Reduced:	BrO2N4H9C13 (1)
Stoich.:	AB2C4D9E13 (1)
Weight, g/mol:	271.06841
ΔH_f, kcal/mol:	-10.24
Dipole, Da:	5.16
IP(EA), eV:	-9.36(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-N-propan-2-yl-4-N-propylpyridine-3,4-diamine

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1NC3=C(C=NC=C3N)Br)C(=O)NC2=O

DOS

IR

Vibrations