Geometry & MOs

Info

ID:	311506
PubChem CID:	126592976
Reduced:	ON3C9H11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	556.12338
ΔH_f, kcal/mol:	23.68
Dipole, Da:	5.57
IP(EA), eV:	-8.53(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-amino-2-(3-bromo-4-fluorophenyl)iminoacetyl]-N-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]phenyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=CC1=C)C(=O)NC(=C)N

DOS

IR

Vibrations