Geometry & MOs

Info

ID:	315573
PubChem CID:	126627758
Reduced:	O3C17H31 (2)
Stoich.:	A3B17C31 (2)
Weight, g/mol:	405.238942
ΔH_f, kcal/mol:	-381.5
Dipole, Da:	3.38
IP(EA), eV:	-9.95(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-methyl-5-(2H-tetrazol-5-ylmethyl)phenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CC)COC(=O)CCCCCCCC=C

DOS

IR

Vibrations