Geometry & MOs

Info

ID:	376978
PubChem CID:	134223013
Reduced:	ClNOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	197.060742
ΔH_f, kcal/mol:	-37.29
Dipole, Da:	3.46
IP(EA), eV:	-9.4(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-8-chloro-5-methyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

CC1=C2[C@H](COCC2=C(C=C1)Cl)N

DOS

IR

Vibrations