Geometry & MOs

Info

ID:	309408
PubChem CID:	126546066
Reduced:	N2O2C19H26 (1)
Stoich.:	A2B2C19D26 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-62.62
Dipole, Da:	1.9
IP(EA), eV:	-9.21(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,2E)-4-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(methylideneamino)methylidene]but-3-enamide

Drug info:

PubChemData

Smile

C/C=C\C(=C/C)\C(=O)NC[C@@H](CN1CCC2=CC=CC=C2C1)O

DOS

IR

Vibrations