Geometry & MOs

Info

ID:	376950
PubChem CID:	134222984
Reduced:	NO2H27C42 (1)
Stoich.:	AB2C27D42 (1)
Weight, g/mol:	197.060742
ΔH_f, kcal/mol:	124.65
Dipole, Da:	1.17
IP(EA), eV:	-7.7(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-5-chloro-3-methyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

C1C2C(=CC=C1C3=CC=CC4=C3OC5=CC=CC=C45)N(C6=C2C=C(C=C6)C7=CC=CC8=C7OC9=CC=CC=C89)C1=CC=CC=C1

DOS

IR

Vibrations