Geometry & MOs

Info

ID:	206407
PubChem CID:	80247091
Reduced:	SN2O2C10H12 (1)
Stoich.:	AB2C2D10E12 (1)
Weight, g/mol:	292.19732
ΔH_f, kcal/mol:	-73.17
Dipole, Da:	4.08
IP(EA), eV:	-9.2(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1-[(4-methylthiophen-3-yl)methyl]-1,4-diazepane

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CN2CCC(=O)NC2=O

DOS

IR

Vibrations