Geometry & MOs

Info

ID:	431374
PubChem CID:	135171449
Reduced:	NC8H11 (1)
Stoich.:	AB8C11 (1)
Weight, g/mol:	403.086974
ΔH_f, kcal/mol:	18.66
Dipole, Da:	3.02
IP(EA), eV:	-8.99(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)sulfanyl-N,5-dimethyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-amine

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=NCC2

DOS

IR

Vibrations