Geometry & MOs

Info

ID:	311495
PubChem CID:	126592964
Reduced:	O2N3H11C12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	552.12846
ΔH_f, kcal/mol:	78.2
Dipole, Da:	7.71
IP(EA), eV:	-9.49(-1.36)
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-cyclopropylpyrazol-4-yl)phenyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC1N2C=C(C=N2)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations