Geometry & MOs

Info

ID:	43594
PubChem CID:	10321513
Reduced:	F3O3N4C22H25 (1)
Stoich.:	A3B3C4D22E25 (1)
Weight, g/mol:	450.199109
ΔH_f, kcal/mol:	-229.89
Dipole, Da:	7.15
IP(EA), eV:	-8.93(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6,6-dimethyl-5-[(3R)-3-methylpiperazine-1-carbonyl]-1,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)CCCC(=O)N4CCCC4)C(=N2)C(F)(F)F

DOS

IR

Vibrations