Geometry & MOs

Info

ID:	438196
PubChem CID:	135227888
Reduced:	BrN2H15C17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	346.06808
ΔH_f, kcal/mol:	93.67
Dipole, Da:	4.53
IP(EA), eV:	-9.12(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[oxan-4-yl(phenyl)methyl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1CC1C(C2=CC=CC=C2)N3C=NC4=C3C=C(C=C4)Br

DOS

IR

Vibrations