Geometry & MOs

Info

ID:	324131
PubChem CID:	126676983
Reduced:	ClPN3O8C21H27 (1)
Stoich.:	ABC3D8E21F27 (1)
Weight, g/mol:	410.254258
ΔH_f, kcal/mol:	-380.34
Dipole, Da:	11.08
IP(EA), eV:	-9.72(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-3-amino-2-[[4-(morpholin-4-ylmethyl)phenyl]methyliminomethyl]prop-2-enyl]-6-hydrazinylpyridine-2,5-diamine

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](C=C)N[P@](=O)(OC[C@H](CCl)O[C@H](C)N1C=CC(=O)NC1=O)OC2=CC=CC=C2

DOS

IR

Vibrations