Geometry & MOs

Info

ID:	210552
PubChem CID:	80822427
Reduced:	O2N6C11H12 (1)
Stoich.:	A2B6C11D12 (1)
Weight, g/mol:	229.132746
ΔH_f, kcal/mol:	44.76
Dipole, Da:	3.6
IP(EA), eV:	-9.63(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-N-[(6-methylpyridin-2-yl)methyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N

DOS

IR

Vibrations