Geometry & MOs

Info

ID:	6081
PubChem CID:	14429
Reduced:	NSC23H23 (1)
Stoich.:	ABC23D23 (1)
Weight, g/mol:	345.155121
ΔH_f, kcal/mol:	74.42
Dipole, Da:	1.17
IP(EA), eV:	-8.52(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-(10-thiatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3,5,7,12,14,16,18-octaen-2-ylidene)propan-1-amine

Drug info:

PubChemData

Smile

CN(C)CCC=C1C2=C(C3=CC=CC=C3C=C2)SCC4=CC=CC=C41

DOS

IR

Vibrations