Geometry & MOs

Info

ID:	265364
PubChem CID:	103518435
Reduced:	BrO2N4C11H17 (1)
Stoich.:	AB2C4D11E17 (1)
Weight, g/mol:	265.00262
ΔH_f, kcal/mol:	-59.98
Dipole, Da:	3.93
IP(EA), eV:	-8.92(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-N-(2,2-difluoroethyl)-4-N-methylpyridine-3,4-diamine

Drug info:

PubChemData

Smile

CC(C(=O)NCCOC)NC1=C(C=NC=C1N)Br

DOS

IR

Vibrations