Geometry & MOs

Info

ID:	439559
PubChem CID:	135229335
Reduced:	NSC8H15 (1)
Stoich.:	ABC8D15 (1)
Weight, g/mol:	291.10243
ΔH_f, kcal/mol:	-12.79
Dipole, Da:	1.36
IP(EA), eV:	-8.0(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-oxo-2-[5-(phosphanylmethyl)-1-propan-2-ylindol-3-yl]acetate

Drug info:

PubChemData

Smile

CC1=CNC(S1)CC(C)C

DOS

IR

Vibrations