Geometry & MOs

Info

ID:	210374
PubChem CID:	80797283
Reduced:	O2N5H13C14 (1)
Stoich.:	A2B5C13D14 (1)
Weight, g/mol:	237.195346
ΔH_f, kcal/mol:	70.07
Dipole, Da:	8.17
IP(EA), eV:	-9.23(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine

Drug info:

PubChemData

Smile

CNC1=NC(=C(C=C1)[N+](=O)[O-])NCC2=CC(=CC=C2)C#N

DOS

IR

Vibrations