Geometry & MOs

Info

ID:	347586
PubChem CID:	127272441
Reduced:	OSN4C11H18 (1)
Stoich.:	ABC4D11E18 (1)
Weight, g/mol:	294.151433
ΔH_f, kcal/mol:	-11.15
Dipole, Da:	2.8
IP(EA), eV:	-8.91(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)NC(=O)N2CCCN(CC2)C

DOS

IR

Vibrations