Geometry & MOs

Info

ID:	417417
PubChem CID:	135093623
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	272.174945
ΔH_f, kcal/mol:	54.34
Dipole, Da:	3.41
IP(EA), eV:	-9.1(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)C2CCN(CC2)C3=NOC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations