Geometry & MOs

Info

ID:	154400
PubChem CID:	56313827
Reduced:	F3O3N4C21H21 (1)
Stoich.:	A3B3C4D21E21 (1)
Weight, g/mol:	440.203525
ΔH_f, kcal/mol:	-192.99
Dipole, Da:	2.67
IP(EA), eV:	-8.72(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)NNC(=O)C(C)OC2=CC3=CC=CC=C3C=C2)C(F)(F)F

DOS

IR

Vibrations