Geometry & MOs

Info

ID:	48569
PubChem CID:	11108631
Reduced:	FNOH12C18 (1)
Stoich.:	ABCD12E18 (1)
Weight, g/mol:	277.146664
ΔH_f, kcal/mol:	-6.17
Dipole, Da:	2.03
IP(EA), eV:	-8.66(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-(2-phenylethynyl)benzamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3=NC4=C(C=C3C=C2)C=C(C=C4)F

DOS

IR

Vibrations