Geometry & MOs

Info

ID:	309407
PubChem CID:	126546063
Reduced:	ON2C15H26 (1)
Stoich.:	AB2C15D26 (1)
Weight, g/mol:	314.199428
ΔH_f, kcal/mol:	-32.05
Dipole, Da:	1.62
IP(EA), eV:	-8.15(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,2E)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-ethylidenepent-3-enamide

Drug info:

PubChemData

Smile

C/C(=C\C(=C/N=C)\NC1CCOCC1)/C(C)(C)C

DOS

IR

Vibrations