Geometry & MOs

Info

ID:	351539
PubChem CID:	127280427
Reduced:	O2N6C21H28 (1)
Stoich.:	A2B6C21D28 (1)
Weight, g/mol:	349.175004
ΔH_f, kcal/mol:	-20.85
Dipole, Da:	2.11
IP(EA), eV:	-9.15(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-[4-(2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NC=C(C=C2)C(=O)N3CCN(CC3)C(=O)CN4CCCC4)C

DOS

IR

Vibrations