Geometry & MOs

Info

ID:	211378
PubChem CID:	80942051
Reduced:	ON4H12C13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	278.247047
ΔH_f, kcal/mol:	47.08
Dipole, Da:	2.53
IP(EA), eV:	-9.55(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-decyl-2-ethylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=N1)OC2=CC=CC=C2C#N)N

DOS

IR

Vibrations