Geometry & MOs

Info

ID:	244276
PubChem CID:	99319646
Reduced:	OSN3C20H23 (1)
Stoich.:	ABC3D20E23 (1)
Weight, g/mol:	398.156575
ΔH_f, kcal/mol:	22.9
Dipole, Da:	5.76
IP(EA), eV:	-9.08(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoroethyl N-[3-[[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]amino]-3-oxopropyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC=C2)[C@H](C)NC(=O)C3=C(C=CS3)C(C)C

DOS

IR

Vibrations