Geometry & MOs

Info

ID:	423014
PubChem CID:	135118764
Reduced:	SN2O2C18H22 (1)
Stoich.:	AB2C2D18E22 (1)
Weight, g/mol:	379.189592
ΔH_f, kcal/mol:	-19.22
Dipole, Da:	3.12
IP(EA), eV:	-8.94(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CN(CC2=CC(=CC=C2)OCC(=O)N)C3CC3

DOS

IR

Vibrations