Geometry & MOs

Info

ID:	157061
PubChem CID:	56413188
Reduced:	SO2N3C23H31 (1)
Stoich.:	AB2C3D23E31 (1)
Weight, g/mol:	409.272927
ΔH_f, kcal/mol:	-53.37
Dipole, Da:	2.17
IP(EA), eV:	-8.93(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(=O)CC3=CSC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations