Geometry & MOs

Info

ID:	423618
PubChem CID:	135119860
Reduced:	OSN4C19H22 (1)
Stoich.:	ABC4D19E22 (1)
Weight, g/mol:	257.164046
ΔH_f, kcal/mol:	38.19
Dipole, Da:	8.15
IP(EA), eV:	-8.74(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N,4-N,5-trimethyl-2-N-(1-pyridin-3-ylethyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=NC=C(S2)CN3CCCC(C3)C4=NC=CN4

DOS

IR

Vibrations