Geometry & MOs

Info

ID:	121218
PubChem CID:	50758963
Reduced:	N4O5C23H28 (1)
Stoich.:	A4B5C23D28 (1)
Weight, g/mol:	424.211055
ΔH_f, kcal/mol:	-150.12
Dipole, Da:	7.41
IP(EA), eV:	-9.25(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CN2C(=CC(=N2)C(=O)OC)C(=O)N1CC3=CC=CC=C3OC)C(=O)NC4CCCC4

DOS

IR

Vibrations