Geometry & MOs

Info

ID:	375249
PubChem CID:	131481076
Reduced:	N2H12C13 (1)
Stoich.:	A2B12C13 (1)
Weight, g/mol:	271.02079
ΔH_f, kcal/mol:	63.46
Dipole, Da:	5.41
IP(EA), eV:	-9.34(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-8-bromo-5-ethoxy-3,4-dihydro-2H-chromen-4-amine

Drug info:

PubChemData

Smile

C[C@H](C1=CC2=CC=CC=C2C=C1C#N)N

DOS

IR

Vibrations