Geometry & MOs

Info

ID:	121220
PubChem CID:	50758965
Reduced:	N4O6C25H32 (1)
Stoich.:	A4B6C25D32 (1)
Weight, g/mol:	498.247835
ΔH_f, kcal/mol:	-200.02
Dipole, Da:	8.69
IP(EA), eV:	-8.95(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CN2C(=CC(=N2)C(=O)OC)C(=O)N1CC3=C(C=C(C=C3)OC)OC)C(=O)NC4CCCCC4

DOS

IR

Vibrations