Geometry & MOs

Info

ID:	137172
PubChem CID:	52166124
Reduced:	N3O5C17H19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	315.158292
ΔH_f, kcal/mol:	-141.62
Dipole, Da:	4.78
IP(EA), eV:	-9.31(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(dimethylamino)-4-[(4-ethylphenoxy)methyl]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)COC2=CC=C(C=C2)C(=O)OC)C(=O)OC

DOS

IR

Vibrations