Geometry & MOs

Info

ID:	210612
PubChem CID:	80830556
Reduced:	BrON4C15H19 (1)
Stoich.:	ABC4D15E19 (1)
Weight, g/mol:	246.159295
ΔH_f, kcal/mol:	1.03
Dipole, Da:	4.53
IP(EA), eV:	-8.55(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(1-methylimidazol-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCC1=C(N=CN=C1NC2=C(C=CC(=C2)OC)Br)NCC

DOS

IR

Vibrations