Geometry & MOs

Info

ID:	296450
PubChem CID:	117575013
Reduced:	BrClNC7H7 (1)
Stoich.:	ABCD7E7 (1)
Weight, g/mol:	181.132746
ΔH_f, kcal/mol:	9.89
Dipole, Da:	1.26
IP(EA), eV:	-9.1(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(1-aminopropan-2-yl)-6-N-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NCCl)Br

DOS

IR

Vibrations