Geometry & MOs

Info

ID:	210221
PubChem CID:	80776228
Reduced:	N2C7H13 (2)
Stoich.:	A2B7C13 (2)
Weight, g/mol:	222.184447
ΔH_f, kcal/mol:	-3.59
Dipole, Da:	3.25
IP(EA), eV:	-8.48(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N,5-diethyl-6-N-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCNC1=C(C(=NC=N1)N(CC)C(C)C)CC

DOS

IR

Vibrations