Geometry & MOs

Info

ID:	397442
PubChem CID:	135030224
Reduced:	SN6O6C26H34 (1)
Stoich.:	AB6C6D26E34 (1)
Weight, g/mol:	310.179361
ΔH_f, kcal/mol:	-175.22
Dipole, Da:	4.73
IP(EA), eV:	-8.32(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3R,4R)-3-[1H-indol-7-yl(methyl)amino]-4-methylpiperidin-1-yl]-3-oxopropanenitrile

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)NC[C@@H](C(=O)O)NS(=O)(=O)C2=CC=CC=C2)N3CCC[C@H](C3)NC4=NCCCN4

DOS

IR

Vibrations