Geometry & MOs

Info

ID:	210503
PubChem CID:	80816105
Reduced:	O2N5C12H15 (1)
Stoich.:	A2B5C12D15 (1)
Weight, g/mol:	246.159295
ΔH_f, kcal/mol:	47.23
Dipole, Da:	3.47
IP(EA), eV:	-8.33(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations