Geometry & MOs

Info

ID:	347585
PubChem CID:	127272440
Reduced:	ON2C10H20 (1)
Stoich.:	AB2C10D20 (1)
Weight, g/mol:	254.120132
ΔH_f, kcal/mol:	-82.94
Dipole, Da:	3.24
IP(EA), eV:	-9.52(1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(CC1)(C)NC(=O)NC

DOS

IR

Vibrations