Geometry & MOs

Info

ID:	300099
PubChem CID:	119526811
Reduced:	OF2N2C19H22 (1)
Stoich.:	AB2C2D19E22 (1)
Weight, g/mol:	414.182254
ΔH_f, kcal/mol:	-111.68
Dipole, Da:	3.06
IP(EA), eV:	-9.12(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(CNC(=O)CC2=C(C(=CC=C2)F)F)N

DOS

IR

Vibrations