Geometry & MOs

Info

ID:	238339
PubChem CID:	92739655
Reduced:	N2O2C14H17 (2)
Stoich.:	A2B2C14D17 (2)
Weight, g/mol:	460.247441
ΔH_f, kcal/mol:	-111.81
Dipole, Da:	2.77
IP(EA), eV:	-7.84(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-N-benzyl-2-tert-butyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@@H]1NC(=O)[C@@]2(CN3C(=CC4=C(C=CC(=C43)OC)OC)C(=O)N2CC5=CC=CC=N5)C

DOS

IR

Vibrations