Geometry & MOs

Info

ID:	327515
PubChem CID:	126690196
Reduced:	FOSN8C28H41 (1)
Stoich.:	ABCD8E28F41 (1)
Weight, g/mol:	377.089937
ΔH_f, kcal/mol:	43.07
Dipole, Da:	4.25
IP(EA), eV:	-7.81(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-benzoyloxyacetyl)-3-hydroxyphenyl] pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(CN2C(=N1)C=CC(=N2)N3CC(C3)NCC(=O)NC)N(C)CCS/C=C(/C(=C/C=C(\C)/F)/CC)\N=C

DOS

IR

Vibrations