Geometry & MOs

Info

ID:	326989
PubChem CID:	126688806
Reduced:	N3O3C10H15 (1)
Stoich.:	A3B3C10D15 (1)
Weight, g/mol:	559.220652
ΔH_f, kcal/mol:	-113.69
Dipole, Da:	6.23
IP(EA), eV:	-9.89(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[3-[3-cyclopropyl-1-(2,5-dioxopyrrolidin-1-yl)propyl]-6-fluorocyclohexa-1,5-dien-1-yl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CNC(=O)N1C=CN=C1

DOS

IR

Vibrations