Geometry & MOs

Info

ID:	210452
PubChem CID:	80809460
Reduced:	SN4C15H20 (1)
Stoich.:	AB4C15D20 (1)
Weight, g/mol:	229.132746
ΔH_f, kcal/mol:	76.17
Dipole, Da:	3.59
IP(EA), eV:	-8.71(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-ethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCNC1=C(C(=NC=N1)N(CC2=CC=CS2)C3CC3)C

DOS

IR

Vibrations