Geometry & MOs

Info

ID:	415959
PubChem CID:	135088961
Reduced:	N3O3C16H17 (1)
Stoich.:	A3B3C16D17 (1)
Weight, g/mol:	298.168128
ΔH_f, kcal/mol:	-81.4
Dipole, Da:	2.49
IP(EA), eV:	-9.7(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1H-indol-3-yl)methanone

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CN1C(=O)C2=CNC(=O)C=C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations