Geometry & MOs

Info

ID:

236892

PubChem CID:

92715492

Reduced:

N4O4C27H30 (1)

Stoich.:

A4B4C27D30 (1)

Weight, g/mol:

474.226705

ΔHf, kcal/mol:

-96.04

Dipole, Da:

5.16

IP(EA), eV:

 -9.29(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (6S)-6-methyl-5-[(4-methylphenyl)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