Geometry & MOs

Info

ID:	146859
PubChem CID:	53762219
Reduced:	N3O5C21H29 (1)
Stoich.:	A3B5C21D29 (1)
Weight, g/mol:	201.078979
ΔH_f, kcal/mol:	-200.8
Dipole, Da:	7.47
IP(EA), eV:	-9.11(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyano-2,3-dihydro-1H-inden-1-yl)acetic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)NC[C@@H]2CC[C@H](C(C2)OC(=O)C(=O)O)C(=O)NC3=CC=NC=C3

DOS

IR

Vibrations