Geometry & MOs

Info

ID:	180247
PubChem CID:	76604116
Reduced:	FO4N5C16H18 (1)
Stoich.:	AB4C5D16E18 (1)
Weight, g/mol:	333.160103
ΔH_f, kcal/mol:	-73.69
Dipole, Da:	5.15
IP(EA), eV:	-9.64(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-amino-1-(methylamino)-1-oxo-3-phenylbutan-2-yl]-3-fluoro-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C(C(C[N+](=O)[O-])C1=CC=CC=C1)NC(=O)C2=CN(N=C2F)C

DOS

IR

Vibrations