Geometry & MOs

Info

ID:	180160
PubChem CID:	76586279
Reduced:	NO5C32H59 (1)
Stoich.:	AB5C32D59 (1)
Weight, g/mol:	510.244247
ΔH_f, kcal/mol:	-328.3
Dipole, Da:	6.12
IP(EA), eV:	-9.38(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-fluorophenyl)-4-[2-(5-fluoropyridin-2-yl)-2-hydroxypropyl]piperazin-1-yl]-5-methoxy-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCC(=O)N(CCOC(=O)CCC)CCOC(=O)CCC(C)C

DOS

IR

Vibrations