Geometry & MOs

Info

ID:	46380
PubChem CID:	10524152
Reduced:	O2N5C21H31 (1)
Stoich.:	A2B5C21D31 (1)
Weight, g/mol:	385.171165
ΔH_f, kcal/mol:	-73.22
Dipole, Da:	4.13
IP(EA), eV:	-7.93(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4,6-diethyl-2-phenyl-5-propylsulfanylcarbonylpyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1CCN2C(C1)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=CC=CC(=C4)N

DOS

IR

Vibrations