Geometry & MOs

Info

ID:	155024
PubChem CID:	56314594
Reduced:	N3O5C21H31 (1)
Stoich.:	A3B5C21D31 (1)
Weight, g/mol:	457.164697
ΔH_f, kcal/mol:	-236.4
Dipole, Da:	5.39
IP(EA), eV:	-9.4(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidin-2-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(C=C1)C(=O)N2CCCCC2CNC(=O)OC(C)(C)C)C

DOS

IR

Vibrations