Geometry & MOs

Info

ID:	84507
PubChem CID:	49867045
Reduced:	PN5O7C10H14 (1)
Stoich.:	AB5C7D10E14 (1)
Weight, g/mol:	267.11201
ΔH_f, kcal/mol:	-313.42
Dipole, Da:	2.36
IP(EA), eV:	-9.46(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(4-carbamimidoylphenyl)methylideneamino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2C(=O)N=C(N3)N)COP(=O)(O)O)O

DOS

IR

Vibrations