Geometry & MOs

Info

ID:	349662
PubChem CID:	127275814
Reduced:	ON5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	345.125946
ΔH_f, kcal/mol:	54.09
Dipole, Da:	2.65
IP(EA), eV:	-9.03(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]thiadiazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C=CN=C1CNC2(CCCC2)C3=NOC(=N3)C4CC4

DOS

IR

Vibrations