Geometry & MOs

Info

ID:	16085
PubChem CID:	459340
Reduced:	NO3C31H31 (1)
Stoich.:	AB3C31D31 (1)
Weight, g/mol:	465.230394
ΔH_f, kcal/mol:	-38.77
Dipole, Da:	5.68
IP(EA), eV:	-8.9(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-(2-hydroxyphenyl)-4-(2-methylbutan-2-yl)-3-phenoxybenzamide

Drug info:

PubChemData

Smile

CCC(C)(C)C1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3O)OC4=CC=CC=C4

DOS

IR

Vibrations