Geometry & MOs

Info

ID:	83608
PubChem CID:	49858818
Reduced:	NO3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	407.184506
ΔH_f, kcal/mol:	-77.64
Dipole, Da:	3.27
IP(EA), eV:	-8.86(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1,3-benzodioxol-5-ylmethylamino)-1-ethyl-6-methyl-4-phenyl-4H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C=CC(=C2)OC)[C@@]3(O1)C4=CC=CC=C4NC3=O

DOS

IR

Vibrations