Geometry & MOs

Info

ID:	377022
PubChem CID:	134223057
Reduced:	N2O3C16H24 (1)
Stoich.:	A2B3C16D24 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	-118.63
Dipole, Da:	4.42
IP(EA), eV:	-8.58(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C)C(=O)OC1=CC2=C(C=C1)[C@@H]([C@H](OC2)C)N(C)C

DOS

IR

Vibrations