Geometry & MOs

Info

ID:	449615
PubChem CID:	135300064
Reduced:	NC21H35 (1)
Stoich.:	AB21C35 (1)
Weight, g/mol:	357.198717
ΔH_f, kcal/mol:	-26.27
Dipole, Da:	1.85
IP(EA), eV:	-8.62(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N,1-trimethyl-2-(piperazine-1-carboximidoyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-5-amine

Drug info:

PubChemData

Smile

CCC1=CCC(C=C1C(C2CCCCC2)N)CCC3CCC3

DOS

IR

Vibrations