Geometry & MOs

Info

ID:	376948
PubChem CID:	134222982
Reduced:	ClNOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	191.131014
ΔH_f, kcal/mol:	-30.28
Dipole, Da:	2.02
IP(EA), eV:	-9.29(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3,5,6-trimethyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

C[C@H]1[C@H](C2=C(CO1)C=CC=C2Cl)N

DOS

IR

Vibrations