Geometry & MOs

Info

ID:	130139
PubChem CID:	51075030
Reduced:	ON3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-35.45
Dipole, Da:	3.6
IP(EA), eV:	-9.04(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(CC1)N(C)C(=O)C2=C(N(N=C2)C)C

DOS

IR

Vibrations