Geometry & MOs

Info

ID:	210613
PubChem CID:	80830557
Reduced:	NC2H3 (6)
Stoich.:	AB2C3 (6)
Weight, g/mol:	246.159295
ΔH_f, kcal/mol:	59.32
Dipole, Da:	6.58
IP(EA), eV:	-8.62(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-6-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCNC1=NC=CC(=N1)NCC2=NC=CN2C

DOS

IR

Vibrations