Geometry & MOs

Info

ID:	195774
PubChem CID:	78732366
Reduced:	FON3H20C22 (1)
Stoich.:	ABC3D20E22 (1)
Weight, g/mol:	409.191403
ΔH_f, kcal/mol:	22.08
Dipole, Da:	4.41
IP(EA), eV:	-8.84(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(carbamoylamino)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC=CC=CC(=O)NCC1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3

DOS

IR

Vibrations