Geometry & MOs

Info

ID:	358591
PubChem CID:	127296350
Reduced:	N2O2C13H18 (1)
Stoich.:	A2B2C13D18 (1)
Weight, g/mol:	236.098334
ΔH_f, kcal/mol:	-74.35
Dipole, Da:	3.2
IP(EA), eV:	-9.35(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylpyridin-3-yl)-(1,4-thiazepan-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)C(=O)N2CCOC(C2)(C)C

DOS

IR

Vibrations