Geometry & MOs

Info

ID:	347587
PubChem CID:	127272442
Reduced:	OSN4C14H22 (1)
Stoich.:	ABC4D14E22 (1)
Weight, g/mol:	254.120132
ΔH_f, kcal/mol:	-27.36
Dipole, Da:	4.81
IP(EA), eV:	-8.28(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCCN(CC1)C(=O)NC2=NC3=C(S2)CCCC3

DOS

IR

Vibrations