Geometry & MOs

Info

ID:	245474
PubChem CID:	99445128
Reduced:	FON4H21C23 (1)
Stoich.:	ABC4D21E23 (1)
Weight, g/mol:	395.200905
ΔH_f, kcal/mol:	5.72
Dipole, Da:	1.39
IP(EA), eV:	-9.28(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(4-methylphenoxy)butanamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)C(=O)N[C@@H](C)C3=C(N(N=C3)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations