Geometry & MOs

Info

ID:	130931
PubChem CID:	51130878
Reduced:	N3O5H17C18 (1)
Stoich.:	A3B5C17D18 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-155.74
Dipole, Da:	4.83
IP(EA), eV:	-8.64(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-5-[2-oxo-2-[2-(2-phenylethyl)pyrrolidin-1-yl]ethyl]-2-pyrrolidin-1-yl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)C(=O)OC)NC(=O)C2=C(OC3=C2C(=O)NC=N3)C

DOS

IR

Vibrations