Geometry & MOs

Info

ID:	152247
PubChem CID:	56311138
Reduced:	O4N5C24H33 (1)
Stoich.:	A4B5C24D33 (1)
Weight, g/mol:	466.22162
ΔH_f, kcal/mol:	-151.75
Dipole, Da:	3.52
IP(EA), eV:	-9.09(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC2(CC1)C(=O)N(C(=O)N2)NC(=O)CN3CCN(CC3)C(=O)CC4=CC=CC=C4C

DOS

IR

Vibrations