Geometry & MOs

Info

ID:	417742
PubChem CID:	135102632
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	294.135972
ΔH_f, kcal/mol:	-19.43
Dipole, Da:	4.35
IP(EA), eV:	-8.62(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-[3-(4-chloropyrazol-1-yl)propyl]-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4=CC(=CN=C4)O

DOS

IR

Vibrations