Geometry & MOs

Info

ID:	210418
PubChem CID:	80803679
Reduced:	ClN5C11H20 (1)
Stoich.:	AB5C11D20 (1)
Weight, g/mol:	232.132411
ΔH_f, kcal/mol:	5.81
Dipole, Da:	5.68
IP(EA), eV:	-9.32(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[1-(furan-2-yl)propan-2-yl]-2-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCC(C(C)C)NC1=NC(=NC(=N1)NCC)Cl

DOS

IR

Vibrations