Geometry & MOs

Info

ID:	192167
PubChem CID:	78234974
Reduced:	O2N3C26H31 (1)
Stoich.:	A2B3C26D31 (1)
Weight, g/mol:	547.307102
ΔH_f, kcal/mol:	-44.11
Dipole, Da:	4.05
IP(EA), eV:	-9.09(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(2-fluorophenyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-6-methoxy-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(CC2C=C3C=CC=C(C3=NC2=O)C)C(=O)NC4CCCCC4

DOS

IR

Vibrations