Geometry & MOs

Info

ID:	347590
PubChem CID:	127272445
Reduced:	ON2C6H10 (2)
Stoich.:	AB2C6D10 (2)
Weight, g/mol:	351.209282
ΔH_f, kcal/mol:	-57.7
Dipole, Da:	1.87
IP(EA), eV:	-8.71(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations