Geometry & MOs

Info

ID:	360612
PubChem CID:	127301257
Reduced:	SN3O4C17H29 (1)
Stoich.:	AB3C4D17E29 (1)
Weight, g/mol:	215.131014
ΔH_f, kcal/mol:	-187.82
Dipole, Da:	6.24
IP(EA), eV:	-9.75(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azetidin-1-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanone

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)NC(=O)CN(C2CC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations