Geometry & MOs

Info

ID:	210341
PubChem CID:	80791373
Reduced:	F3N5C9H14 (1)
Stoich.:	A3B5C9D14 (1)
Weight, g/mol:	243.148396
ΔH_f, kcal/mol:	-138.19
Dipole, Da:	3.28
IP(EA), eV:	-8.81(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-ethyl-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)N)N(C)CC(F)(F)F

DOS

IR

Vibrations