Geometry & MOs

Info

ID:	201128
PubChem CID:	79491364
Reduced:	ON2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	292.262697
ΔH_f, kcal/mol:	78.39
Dipole, Da:	4.57
IP(EA), eV:	-8.79(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-5-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2=CC=CC=C2[N+](=O)[O-])CNC3CC3

DOS

IR

Vibrations