Geometry & MOs

Info

ID:	126401
PubChem CID:	50963950
Reduced:	O2N5C18H19 (1)
Stoich.:	A2B5C18D19 (1)
Weight, g/mol:	299.185844
ΔH_f, kcal/mol:	46.82
Dipole, Da:	8.15
IP(EA), eV:	-9.14(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-cyclopropyl-4-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-N-methylpyrimidine-2,4,6-triamine

Drug info:

PubChemData

Smile

CN(CCC(=O)NC1=CN=CC=C1)CC2=CC(=NO2)C3=CN=CC=C3

DOS

IR

Vibrations