Geometry & MOs

Info

ID:	153463
PubChem CID:	56312679
Reduced:	FN4O4H17C23 (1)
Stoich.:	AB4C4D17E23 (1)
Weight, g/mol:	424.208611
ΔH_f, kcal/mol:	-42.2
Dipole, Da:	5.24
IP(EA), eV:	-9.44(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)OC2=C(C=C(C=C2)/C=C/C(=O)NNC(=O)COC3=CC=C(C=C3)C#N)F

DOS

IR

Vibrations