Geometry & MOs

Info

ID:	143180
PubChem CID:	53159046
Reduced:	FSN2O3H23C24 (1)
Stoich.:	ABC2D3E23F24 (1)
Weight, g/mol:	278.116761
ΔH_f, kcal/mol:	-104.28
Dipole, Da:	6.26
IP(EA), eV:	-8.85(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)OC)NC(=O)C2=CC3=C(S2)CCN(C3)C(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations