Geometry & MOs

Info

ID:	438291
PubChem CID:	135228023
Reduced:	FN7H22C23 (1)
Stoich.:	AB7C22D23 (1)
Weight, g/mol:	361.07897
ΔH_f, kcal/mol:	105.58
Dipole, Da:	5.09
IP(EA), eV:	-8.35(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-4-N-[oxan-4-yl(phenyl)methyl]pyridine-3,4-diamine

Drug info:

PubChemData

Smile

CC1NC2=C(N1C(C3=CC=CC=N3)C4=CC=CC=N4)C=C(C=C2F)C5=C(N=NN5C)C

DOS

IR

Vibrations