Geometry & MOs

Info

ID:	157677
PubChem CID:	56436422
Reduced:	FIN2O4H16C18 (1)
Stoich.:	ABC2D4E16F18 (1)
Weight, g/mol:	425.206304
ΔH_f, kcal/mol:	-101.06
Dipole, Da:	4.38
IP(EA), eV:	-9.01(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(C#N)NC(=O)C2=C(C=C(C=C2)F)I

DOS

IR

Vibrations