Geometry & MOs

Info

ID:	283641
PubChem CID:	103995015
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	263.14339
ΔH_f, kcal/mol:	-10.83
Dipole, Da:	4.34
IP(EA), eV:	-8.95(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-[(3-fluorophenyl)methyl]-5-(2-methylpropyl)-1H-pyrazol-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)C(=C(N2)CC(C)C)N

DOS

IR

Vibrations