Geometry & MOs

Info

ID:	323990
PubChem CID:	126676725
Reduced:	NO5C20H29 (1)
Stoich.:	AB5C20D29 (1)
Weight, g/mol:	429.227709
ΔH_f, kcal/mol:	-246.13
Dipole, Da:	3.69
IP(EA), eV:	-9.62(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-3-amino-2-[[3-(2,3-dihydro-1H-isoindol-4-yloxy)phenyl]methyliminomethyl]prop-2-enyl]pyridine-2,3,6-triamine

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC=C1)C2(CCN(C(C2)C)C(=O)OC(C)(C)C)O

DOS

IR

Vibrations