Geometry & MOs

Info

ID:	154716
PubChem CID:	56314224
Reduced:	SN4O5C19H24 (1)
Stoich.:	AB4C5D19E24 (1)
Weight, g/mol:	404.182396
ΔH_f, kcal/mol:	-118.57
Dipole, Da:	5.31
IP(EA), eV:	-9.79(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1H-indol-3-yl)piperidin-1-yl]-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations