Geometry & MOs

Info

ID:	68679
PubChem CID:	46508883
Reduced:	N3O4C26H27 (1)
Stoich.:	A3B4C26D27 (1)
Weight, g/mol:	422.147786
ΔH_f, kcal/mol:	-86.28
Dipole, Da:	2.33
IP(EA), eV:	-7.94(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[[2-(4-methylbenzoyl)benzoyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)COC(=O)C4=CC=C(C=C4)O

DOS

IR

Vibrations