Geometry & MOs

Info

ID:	330568
PubChem CID:	127247975
Reduced:	OSN4C13H22 (1)
Stoich.:	ABC4D13E22 (1)
Weight, g/mol:	297.241627
ΔH_f, kcal/mol:	2.67
Dipole, Da:	3.49
IP(EA), eV:	-8.83(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-hydroxycyclohexyl)methyl]-N,N,4-trimethyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC(C1)C(=O)N(C)C)CC2=CN=CS2

DOS

IR

Vibrations