Geometry & MOs

Info

ID:	141184
PubChem CID:	52833769
Reduced:	O2F3N4C18H21 (1)
Stoich.:	A2B3C4D18E21 (1)
Weight, g/mol:	382.16166
ΔH_f, kcal/mol:	-200.15
Dipole, Da:	5.09
IP(EA), eV:	-9.37(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC1=CC=CC=C1)NC(=O)C2=C(N(N=C2)C(C)C)C(F)(F)F

DOS

IR

Vibrations