Geometry & MOs

Info

ID:	343859
PubChem CID:	127267035
Reduced:	N4O4C13H18 (1)
Stoich.:	A4B4C13D18 (1)
Weight, g/mol:	328.099397
ΔH_f, kcal/mol:	-65.02
Dipole, Da:	7.35
IP(EA), eV:	-9.36(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1)C)C2=C(C=C(C=N2)C(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations