Geometry & MOs

Info

ID:	238354
PubChem CID:	92740974
Reduced:	O3N4C25H36 (1)
Stoich.:	A3B4C25D36 (1)
Weight, g/mol:	440.278741
ΔH_f, kcal/mol:	-103.23
Dipole, Da:	2.28
IP(EA), eV:	-8.91(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-2-tert-butyl-5-[(2-methoxyphenyl)methyl]-6-methyl-N-(3-methylbutyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)[C@@]1(CN2C(=CC(=N2)C(C)(C)C)C(=O)N1CC3=CC=CC=C3OC)C

DOS

IR

Vibrations