Geometry & MOs

Info

ID:	323658
PubChem CID:	126675667
Reduced:	ON6C10H10 (1)
Stoich.:	AB6C10D10 (1)
Weight, g/mol:	437.253923
ΔH_f, kcal/mol:	101.6
Dipole, Da:	2.36
IP(EA), eV:	-9.06(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-[[[(Z)-3-amino-2-[(2,3,6-triaminopyridin-4-yl)methyl]prop-2-enylidene]amino]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CC2=CC(=NC3=NNN=C23)N

DOS

IR

Vibrations