Geometry & MOs

Info

ID:	200576
PubChem CID:	79412288
Reduced:	NOC11H25 (1)
Stoich.:	ABC11D25 (1)
Weight, g/mol:	347.08584
ΔH_f, kcal/mol:	-93.7
Dipole, Da:	2.96
IP(EA), eV:	-9.22(3.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-6-ethyl-5-iodo-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCC(CN)C(C(CC)CC)O

DOS

IR

Vibrations