Geometry & MOs

Info

ID:	309466
PubChem CID:	126546453
Reduced:	N7O7C36H45 (1)
Stoich.:	A7B7C36D45 (1)
Weight, g/mol:	326.199428
ΔH_f, kcal/mol:	-177.9
Dipole, Da:	4.6
IP(EA), eV:	-8.85(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,3Z)-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-ethylidenehexa-3,5-dienamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CN(N=N2)CCOCCOCCOCCNC(=O)CCCNC(=O)OC3=CC=C(C=C3)C[C@@H](C(=O)NC4=CC=CC=C4)N

DOS

IR

Vibrations