Geometry & MOs

Info

ID:	60039
PubChem CID:	26665884
Reduced:	FNO2C18H20 (1)
Stoich.:	ABC2D18E20 (1)
Weight, g/mol:	400.211055
ΔH_f, kcal/mol:	-108.79
Dipole, Da:	3.58
IP(EA), eV:	-8.54(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OCCC(=O)NC2=C(C=C(C=C2)C)F

DOS

IR

Vibrations