Geometry & MOs

Info

ID:	377037
PubChem CID:	134223072
Reduced:	NOC12H13 (1)
Stoich.:	ABC12D13 (1)
Weight, g/mol:	205.146664
ΔH_f, kcal/mol:	24.87
Dipole, Da:	1.81
IP(EA), eV:	-9.24(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCN[C@H]1COCC2=CC=CC=C12

DOS

IR

Vibrations