Geometry & MOs

Info

ID:	306182
PubChem CID:	125002210
Reduced:	SN3O3C16H23 (1)
Stoich.:	AB3C3D16E23 (1)
Weight, g/mol:	312.195011
ΔH_f, kcal/mol:	-101.81
Dipole, Da:	6.37
IP(EA), eV:	-9.14(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethyl-5-methylpyrazol-3-yl)-[(3S)-4-methyl-3-phenylpiperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(=O)N1CCN([C@@H](C1)C2=CC=CC=C2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations