Geometry & MOs

Info

ID:	121204
PubChem CID:	50758662
Reduced:	ClO3N5C23H28 (1)
Stoich.:	AB3C5D23E28 (1)
Weight, g/mol:	486.203383
ΔH_f, kcal/mol:	-91.64
Dipole, Da:	7.14
IP(EA), eV:	-9.02(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(3-chloro-2-methylphenyl)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC(=NN2CC1(C)C(=O)NC3CCCC3)C(=O)NC4=C(C=C(C=C4)Cl)C

DOS

IR

Vibrations