Geometry & MOs

Info

ID:	377068
PubChem CID:	134223104
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	191.131014
ΔH_f, kcal/mol:	-44.06
Dipole, Da:	2.55
IP(EA), eV:	-9.32(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C[C@@H]1[C@H](C2=CC=CC=C2CO1)N

DOS

IR

Vibrations