Geometry & MOs

Info

ID:	174138
PubChem CID:	75729594
Reduced:	BrN2O2C23H35 (1)
Stoich.:	AB2C2D23E35 (1)
Weight, g/mol:	528.23514
ΔH_f, kcal/mol:	-112.66
Dipole, Da:	5.75
IP(EA), eV:	-9.4(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(4-bromophenyl)acetyl]-propylamino]-2-(2,4-dimethylphenyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide

Drug info:

PubChemData

Smile

CCCN(C(C1CCCCC1)C(=O)NC(C)(C)C)C(=O)CC2=CC=C(C=C2)Br

DOS

IR

Vibrations