Geometry & MOs

Info

ID:	422957
PubChem CID:	135118683
Reduced:	NOC6H9 (3)
Stoich.:	ABC6D9 (3)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	-111.93
Dipole, Da:	4.2
IP(EA), eV:	-8.91(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(N1C)C#N)CN2CCC3(CC2)[C@H]([C@](CCO3)(C)O)O

DOS

IR

Vibrations