Geometry & MOs

Info

ID:	193051
PubChem CID:	78337587
Reduced:	SO2N3C22H29 (1)
Stoich.:	AB2C3D22E29 (1)
Weight, g/mol:	497.311438
ΔH_f, kcal/mol:	-75.63
Dipole, Da:	6.58
IP(EA), eV:	-8.53(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(4-hydroxyphenyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,8-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CCCC1CC(=O)NC(N1)SCC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)C)C

DOS

IR

Vibrations