Geometry & MOs

Info

ID:	448746
PubChem CID:	135293246
Reduced:	O3N6C20H24 (1)
Stoich.:	A3B6C20D24 (1)
Weight, g/mol:	332.115237
ΔH_f, kcal/mol:	-46.12
Dipole, Da:	3.37
IP(EA), eV:	-8.69(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-amino-5-carbamimidoylpyridin-2-yl)-3-[(2-chloro-6-methylphenyl)methyl]urea

Drug info:

PubChemData

Smile

C1COCCN1C2=NNC3=CC(=NC=C32)NC(=O)N[C@H](CCO)C4=CC=CC=C4

DOS

IR

Vibrations