Geometry & MOs

Info

ID:	336642
PubChem CID:	127255649
Reduced:	N2O2C5H8 (1)
Stoich.:	A2B2C5D8 (1)
Weight, g/mol:	312.111007
ΔH_f, kcal/mol:	-78.44
Dipole, Da:	4.02
IP(EA), eV:	-10.34(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-oxo-8-phenylmethoxy-1H-pyrrolo[1,2-a]pyrimidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC1CC(=O)N1

DOS

IR

Vibrations