Geometry & MOs

Info

ID:	143754
PubChem CID:	53254439
Reduced:	NOC5H6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	299.99972
ΔH_f, kcal/mol:	-35.83
Dipole, Da:	2.7
IP(EA), eV:	-8.94(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-bromo-5-hydroxy-6-methoxy-2,3-dihydro-1H-indene-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C2C[C@@H](C(=O)N(C2=CC=C1)O)N

DOS

IR

Vibrations