Geometry & MOs

Info

ID:	311548
PubChem CID:	126593788
Reduced:	FO4N5C18H18 (1)
Stoich.:	AB4C5D18E18 (1)
Weight, g/mol:	217.157898
ΔH_f, kcal/mol:	-112.24
Dipole, Da:	5.3
IP(EA), eV:	-9.31(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-ethenyl-3-ethyl-5-propan-2-ylpyridine-2-carboximidamide

Drug info:

PubChemData

Smile

CO[C@@H]1[C@H](O[C@H]([C@H]1F)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)CO

DOS

IR

Vibrations