Geometry & MOs

Info

ID:	236893
PubChem CID:	92715493
Reduced:	N4O4C27H30 (1)
Stoich.:	A4B4C27D30 (1)
Weight, g/mol:	474.226705
ΔH_f, kcal/mol:	-93.4
Dipole, Da:	8.3
IP(EA), eV:	-9.23(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (6R)-5-(3,5-dimethylphenyl)-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN2C[C@@](N(C(=O)C2=C1)CC3=CC=C(C=C3)C)(C)C(=O)NCC4=CC=C(C=C4)C

DOS

IR

Vibrations