Geometry & MOs

Info

ID:	323570
PubChem CID:	126675493
Reduced:	N3O7C21H35 (1)
Stoich.:	A3B7C21D35 (1)
Weight, g/mol:	330.135972
ΔH_f, kcal/mol:	-307.98
Dipole, Da:	6.08
IP(EA), eV:	-9.42(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-3-amino-2-[(2-chlorophenyl)methyliminomethyl]prop-2-enyl]pyridine-2,3,6-triamine

Drug info:

PubChemData

Smile

CC(C1[C@H](C([C@@H](C(O1)O[C@@H]2C(CC([C@H](C2O)OC)NCC3=CC=CC=C3)N)N)O)O)O

DOS

IR

Vibrations