Geometry & MOs

Info

ID:	210148
PubChem CID:	80768402
Reduced:	Cl2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	282.184447
ΔH_f, kcal/mol:	28.99
Dipole, Da:	3.02
IP(EA), eV:	-8.46(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2,3-dihydro-1H-inden-5-yl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCNC1=NC(=CC=C1)NC2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations