Geometry & MOs

Info

ID:	148308
PubChem CID:	53787970
Reduced:	O7H34C38 (1)
Stoich.:	A7B34C38 (1)
Weight, g/mol:	497.202282
ΔH_f, kcal/mol:	-123.74
Dipole, Da:	9.99
IP(EA), eV:	-8.59(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-6-[4-[2-[(4-nitrophenoxy)methyl]-3-oxo-3-(1H-pyrazol-5-yl)propyl]piperazin-1-yl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1OC)C=CC(=O)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O)OCC5=CC=CC=C5

DOS

IR

Vibrations