Geometry & MOs

Info

ID:	210518
PubChem CID:	80818823
Reduced:	O2N6C9H16 (1)
Stoich.:	A2B6C9D16 (1)
Weight, g/mol:	209.164046
ΔH_f, kcal/mol:	13.63
Dipole, Da:	3.94
IP(EA), eV:	-9.12(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[2-(dimethylamino)propyl]-5-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC(CNC1=NC=NC(=C1[N+](=O)[O-])N)N(C)C

DOS

IR

Vibrations