Geometry & MOs

Info

ID:	419099
PubChem CID:	135107513
Reduced:	ON5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	364.189926
ΔH_f, kcal/mol:	39.89
Dipole, Da:	4.62
IP(EA), eV:	-9.03(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-4-(1H-indol-3-yl)butan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)N2C=CC=N2)CN(CCO)CC3=NC=CN3)C

DOS

IR

Vibrations