Geometry & MOs

Info

ID:	363178
PubChem CID:	127310217
Reduced:	N5C18H25 (1)
Stoich.:	A5B18C25 (1)
Weight, g/mol:	245.038961
ΔH_f, kcal/mol:	51.66
Dipole, Da:	5.8
IP(EA), eV:	-8.92(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-(1,4-thiazepan-4-yl)-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations