Geometry & MOs

Info

ID:	309409
PubChem CID:	126546068
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-19.02
Dipole, Da:	2.17
IP(EA), eV:	-8.81(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-bis(ethenylimino)propanamide

Drug info:

PubChemData

Smile

C=N/C=C(\C=C/N)/C(=O)NCC(CN1CCC2=CC=CC=C2C1)O

DOS

IR

Vibrations