Geometry & MOs

Info

ID:	376932
PubChem CID:	134222965
Reduced:	ClNOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	-29.74
Dipole, Da:	1.94
IP(EA), eV:	-9.46(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3,7-dimethyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

C1COCC2=C(C1N)C(=CC=C2)Cl

DOS

IR

Vibrations