Geometry & MOs

Info

ID:	244070
PubChem CID:	99309612
Reduced:	O2S2N3C25H27 (1)
Stoich.:	A2B2C3D25E27 (1)
Weight, g/mol:	415.166269
ΔH_f, kcal/mol:	-8.77
Dipole, Da:	5.17
IP(EA), eV:	-8.22(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2-methoxyphenyl)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2)C(=O)CCNC(=O)C3=CC=CC=C3SCC4=CSC=C4

DOS

IR

Vibrations