Geometry & MOs

Info

ID:	365538
PubChem CID:	127317986
Reduced:	ON5C17H29 (1)
Stoich.:	AB5C17D29 (1)
Weight, g/mol:	385.182398
ΔH_f, kcal/mol:	-35.76
Dipole, Da:	7.46
IP(EA), eV:	-8.76(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethyl-1,3-thiazol-2-yl)-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)NCC(C)CN3C=CN=C3C

DOS

IR

Vibrations