Geometry & MOs

Info

ID:	426106
PubChem CID:	135138119
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	442.180504
ΔH_f, kcal/mol:	4.58
Dipole, Da:	5.64
IP(EA), eV:	-8.52(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-4-amino-4-oxo-1-phenylbutan-2-yl]-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]benzamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C1C3CCCN(C3)C(=C)C4=CC5=C(C=C4)OCCO5)N=CC=C2

DOS

IR

Vibrations