Geometry & MOs

Info

ID:	148554
PubChem CID:	53788221
Reduced:	OSN2C13H24 (1)
Stoich.:	ABC2D13E24 (1)
Weight, g/mol:	169.18305
ΔH_f, kcal/mol:	-67.89
Dipole, Da:	2.8
IP(EA), eV:	-8.85(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,4,4,5-pentamethylazepane

Drug info:

PubChemData

Smile

CC1CC2C(CC1C)SC(N(C2=O)C)N(C)C

DOS

IR

Vibrations