Geometry & MOs

Info

ID:	70958
PubChem CID:	48414101
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	332.164854
ΔH_f, kcal/mol:	-59.36
Dipole, Da:	5.48
IP(EA), eV:	-9.36(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-[3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)NCC2=C(NN=C2)C

DOS

IR

Vibrations