Geometry & MOs

Info

ID:	282246
PubChem CID:	103920113
Reduced:	BrFNO2C11H13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-125.4
Dipole, Da:	3.95
IP(EA), eV:	-9.82(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-hydroxybutan-2-yl]-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](CO)NC(=O)C1=C(C=CC(=C1)F)Br

DOS

IR

Vibrations