Geometry & MOs

Info

ID:	354759
PubChem CID:	127287519
Reduced:	N5C18H25 (1)
Stoich.:	A5B18C25 (1)
Weight, g/mol:	282.151433
ΔH_f, kcal/mol:	54.89
Dipole, Da:	4.48
IP(EA), eV:	-8.81(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)azepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CC=CC=N2)NCCN3CCCCCC3

DOS

IR

Vibrations