Geometry & MOs

Info

ID:	173175
PubChem CID:	75606449
Reduced:	O4N5C20H21 (1)
Stoich.:	A4B5C20D21 (1)
Weight, g/mol:	345.151098
ΔH_f, kcal/mol:	-38.39
Dipole, Da:	6.05
IP(EA), eV:	-8.82(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-cyclopentyloxyphenyl)-3-methyl-2,3,3a,4-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one

Drug info:

PubChemData

Smile

C1CN(CCN1CCNC(=O)C2=NC(=O)C3C=CC=CC3=N2)C(=O)C4=CC=CO4

DOS

IR

Vibrations