Geometry & MOs

Info

ID:	13061
PubChem CID:	220477
Reduced:	N3O3C14H15 (1)
Stoich.:	A3B3C14D15 (1)
Weight, g/mol:	273.111341
ΔH_f, kcal/mol:	-89.84
Dipole, Da:	5.49
IP(EA), eV:	-9.78(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-amino-1-benzyl-2-oxopyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=O)N=C1)CC2=CC=CC=C2)N

DOS

IR

Vibrations