Geometry & MOs

Info

ID:	347591
PubChem CID:	127272446
Reduced:	OSN5C17H29 (1)
Stoich.:	ABC5D17E29 (1)
Weight, g/mol:	268.135782
ΔH_f, kcal/mol:	-16.1
Dipole, Da:	2.14
IP(EA), eV:	-8.67(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)CC2=CSC(=N2)NC(=O)N3CCCN(CC3)C

DOS

IR

Vibrations