Geometry & MOs

Info

ID:	376969
PubChem CID:	134223004
Reduced:	NOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	-25.54
Dipole, Da:	1.97
IP(EA), eV:	-9.02(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-N,5-dimethyl-3,4-dihydro-1H-isochromen-4-amine

Drug info:

PubChemData

Smile

CC1=C2[C@H](COCC2=CC=C1)NC

DOS

IR

Vibrations