Geometry & MOs

Info

ID:	377027
PubChem CID:	134223062
Reduced:	NC26H35 (1)
Stoich.:	AB26C35 (1)
Weight, g/mol:	191.131014
ΔH_f, kcal/mol:	21.96
Dipole, Da:	1.83
IP(EA), eV:	-8.86(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=C(C=C(C=C1)CNC/C(=C/C2=CC=CC=C2C)/CCC)C(=C)C

DOS

IR

Vibrations