Geometry & MOs

Info

ID:	323110
PubChem CID:	126672618
Reduced:	OSC48H86 (1)
Stoich.:	ABC48D86 (1)
Weight, g/mol:	343.193614
ΔH_f, kcal/mol:	-152.49
Dipole, Da:	1.81
IP(EA), eV:	-5.9(1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-butyl-5-(2-methylphenyl)phenyl]benzamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@H]2[C@H](C[C@H](CC2C1S(C)(C3CCCCC3)C4[C@H](C[C@@H]5C4C[C@@H](C([C@@H]5C6CCCCC6)OC)C(C)(C)C)C)C(C)(C)C)C7CCCCC7

DOS

IR

Vibrations