Geometry & MOs

Info

ID:	369578
PubChem CID:	127334765
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	379.16444
ΔH_f, kcal/mol:	-60.17
Dipole, Da:	7.38
IP(EA), eV:	-9.15(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-[2-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CN=C(N2)C3CCCN3C(=O)CC4CCOCC4

DOS

IR

Vibrations