Geometry & MOs

Info

ID:	378938
PubChem CID:	134228455
Reduced:	F2O4N9C19H23 (1)
Stoich.:	A2B4C9D19E23 (1)
Weight, g/mol:	555.256958
ΔH_f, kcal/mol:	-139.3
Dipole, Da:	7.01
IP(EA), eV:	-8.84(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(1-but-2-ynoylazocan-5-yl)-3-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCOC1=C(C=C(C(=C1)F)NC2=NC=C(C(=N2)N)F)N3C(=O)N(N=N3)C

DOS

IR

Vibrations