Geometry & MOs

Info

ID:	443909
PubChem CID:	135260382
Reduced:	FO2N8H31C33 (1)
Stoich.:	AB2C8D31E33 (1)
Weight, g/mol:	396.08109
ΔH_f, kcal/mol:	89.93
Dipole, Da:	9.94
IP(EA), eV:	-8.56(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-benzyl-4-N-butyl-5-iodo-6-methylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC(=CC(=C1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CC(=CN=C6)NC(=O)C7CCC7)NN4)/C=C32)F

DOS

IR

Vibrations