Geometry & MOs

Info

ID:	154919
PubChem CID:	56314469
Reduced:	F3N3O4C21H30 (1)
Stoich.:	A3B3C4D21E30 (1)
Weight, g/mol:	364.151096
ΔH_f, kcal/mol:	-318.91
Dipole, Da:	5.52
IP(EA), eV:	-8.95(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1H-indol-3-yl)ethyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)CN1CCN(CC1)C(=O)CCC2=CC(=C(C=C2)OCC(F)(F)F)OC

DOS

IR

Vibrations