Geometry & MOs

Info

ID:	230068
PubChem CID:	87570012
Reduced:	N4O17C53H90 (1)
Stoich.:	A4B17C53D90 (1)
Weight, g/mol:	325.117489
ΔH_f, kcal/mol:	-897.82
Dipole, Da:	5.92
IP(EA), eV:	-9.52(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-amino-4-ethoxypteridin-6-yl)-2-methoxybenzaldehyde

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCCC1(C(NC(=O)C(OC(=O)NCCCC(=O)OCC1(COC(=O)CCCNC(=O)OC(C)(C)C)COC(=O)CCCNC(=O)OC(C)(C)C)(C)C)C(=O)O)C(=O)O

DOS

IR

Vibrations