Geometry & MOs

Info

ID:	377038
PubChem CID:	134223073
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	205.146664
ΔH_f, kcal/mol:	-25.17
Dipole, Da:	2.43
IP(EA), eV:	-8.61(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations