Geometry & MOs

Info

ID:	288400
PubChem CID:	104316296
Reduced:	BrN5C14H16 (1)
Stoich.:	AB5C14D16 (1)
Weight, g/mol:	347.07456
ΔH_f, kcal/mol:	68.84
Dipole, Da:	2.48
IP(EA), eV:	-9.96(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-bromopyridin-2-yl)-6-cycloheptyl-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=NC(=NC(=N2)C3=NC=C(C=C3)Br)N

DOS

IR

Vibrations