Geometry & MOs

Info

ID:	23757
PubChem CID:	605920
Reduced:	SN4C15H22 (1)
Stoich.:	AB4C15D22 (1)
Weight, g/mol:	290.156518
ΔH_f, kcal/mol:	62.46
Dipole, Da:	6.61
IP(EA), eV:	-8.24(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(1-pyridin-2-ylethylideneamino)azepane-1-carbothioamide

Drug info:

PubChemData

Smile

CC(=NN(C)C(=S)N1CCCCCC1)C2=CC=CC=N2

DOS

IR

Vibrations