Geometry & MOs

Info

ID:	373402
PubChem CID:	131314703
Reduced:	NC14H17 (1)
Stoich.:	AB14C17 (1)
Weight, g/mol:	269.98916
ΔH_f, kcal/mol:	17.65
Dipole, Da:	2.18
IP(EA), eV:	-8.74(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-6-bromo-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid

Drug info:

PubChemData

Smile

CC[C@H](C1=CC2=CC=CC(=C2C=C1)C)N

DOS

IR

Vibrations