Geometry & MOs

Info

ID:	71729
PubChem CID:	48415272
Reduced:	O2F3N3C21H24 (1)
Stoich.:	A2B3C3D21E24 (1)
Weight, g/mol:	375.096139
ΔH_f, kcal/mol:	-172.52
Dipole, Da:	5.35
IP(EA), eV:	-9.21(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[5-chloro-6-(2,2,2-trifluoroethoxy)pyridin-3-yl]methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2CC(=O)N(C2)CC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations