Geometry & MOs

Info

ID:	121219
PubChem CID:	50758964
Reduced:	N4O4C23H28 (1)
Stoich.:	A4B4C23D28 (1)
Weight, g/mol:	484.232185
ΔH_f, kcal/mol:	-120.06
Dipole, Da:	5.39
IP(EA), eV:	-9.46(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-(cyclohexylcarbamoyl)-5-[(2,4-dimethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C3=CC(=NN3CC2(C)C(=O)NC4CCCCC4)C(=O)OC

DOS

IR

Vibrations