Geometry & MOs

Info

ID:	193545
PubChem CID:	78405489
Reduced:	ClN3H10C11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	239.145619
ΔH_f, kcal/mol:	81.48
Dipole, Da:	1.8
IP(EA), eV:	-9.2(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-1,3,4,4a,5,6,7,8-octahydropyrimido[4,5-b]azepine-2-thione

Drug info:

PubChemData

Smile

C1CN=C2C1C(=NN2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations