Geometry & MOs

Info

ID:	174043
PubChem CID:	75715134
Reduced:	BrN2O3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	486.11542
ΔH_f, kcal/mol:	-105.49
Dipole, Da:	1.55
IP(EA), eV:	-8.89(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-2-[[2-(4-bromophenyl)acetyl]-methylamino]-N-cyclohexylacetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C(C1=CC=C(C=C1)OC)N(C)C(=O)CC2=CC=C(C=C2)Br

DOS

IR

Vibrations