Geometry & MOs

Info

ID:	266349
PubChem CID:	103562685
Reduced:	ON2C17H28 (1)
Stoich.:	AB2C17D28 (1)
Weight, g/mol:	214.15037
ΔH_f, kcal/mol:	-30.01
Dipole, Da:	1.79
IP(EA), eV:	-8.68(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-methyl-1-(1,4-thiazepan-4-yl)cyclobutyl]methanamine

Drug info:

PubChemData

Smile

CC(C)C1CC(C1)(CN)N(C)CC2=CC(=CC=C2)OC

DOS

IR

Vibrations