Geometry & MOs

Info

ID:	441275
PubChem CID:	135233928
Reduced:	SO2N6C22H36 (1)
Stoich.:	AB2C6D22E36 (1)
Weight, g/mol:	313.18305
ΔH_f, kcal/mol:	-35.96
Dipole, Da:	8.75
IP(EA), eV:	-8.65(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclobut-2-en-1-yl-4-ethyl-2-(3-phenylphenyl)-2H-pyridine

Drug info:

PubChemData

Smile

CC1(CCC(CC1NC(=O)/C(=C/S)/N)C2=NC(=C(C=C2)NCC(C)(C)C)N(C)N=O)C

DOS

IR

Vibrations