Geometry & MOs

Info

ID:	347588
PubChem CID:	127272443
Reduced:	OSN4C11H18 (1)
Stoich.:	ABC4D11E18 (1)
Weight, g/mol:	339.172896
ΔH_f, kcal/mol:	-21.12
Dipole, Da:	3.38
IP(EA), eV:	-8.68(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(S1)NC(=O)N2CCCN(CC2)C

DOS

IR

Vibrations